490	490	893	0:SP3_SP2_SP3	C	C	O	2:2:4:1:	4:4:1:1:	3:4:	O-2:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])2(CCHH)(H)	C(CCHH)(CHOO)(H)2	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])2(CCHH)(H)	C(CCHH)(CHOO)(H)2	O(C[6a]C[6a]2)(CCHO)	114.3260	1.585	2	114.3260	2.513	2	114.3260	2.513	2	114.3260	2.513	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:2:4:4:	4:1:1:1:	3:4:	O-2:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])2(CCHH)(CH3)	C(CCOO)(H)3	O(C[6a]C[6a]2)(CCCO)	C(OC[6a])2(CCHH)(CH3)	C(CCOO)(H)3	O(C[6a]C[6a]2)(CCCO)	107.5955	4.047	2	107.5955	16.376	2	108.1820	10.023	14	108.1820	10.023	14	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:2:4:4:	4:1:1:1:	3:4:	O-2:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])2(CH3)2	C(CCOO)(H)3	O(C[6a]C[6a]2)(CCCO)	C(OC[6a])2(CH3)2	C(CCOO)(H)3	O(C[6a]C[6a]2)(CCCO)	108.2797	3.207	12	108.2797	10.284	12	108.1820	10.023	14	108.1820	10.023	14	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:2:4:4:	4:4:1:1:	3:4:	O-2:O-2:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])2(CCHH)(CH3)	C(CCCH)(CCOO)(H)2	O(C[6a]C[6a]2)(CCCO)	C(OC[6a])2(CCHH)(CH3)	C(CCCH)(CCOO)(H)2	O(C[6a]C[6a]2)(CCCO)	107.5865	5.038	2	107.5865	25.383	2	107.5865	25.383	2	107.5865	25.383	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	2:4:1:1:	3:4:	O-2:C-4:F-1:F-1:	I-2:C-4:F-1:F-1:	C[6a]-3:C-4:	C(OC[6a])(CFFI)(F)2	C(IC[6a])(CFFO)(F)2	O(C[6a]C[6a]2)(CCFF)	C(OC[6a])(CFFI)(F)2	C(IC[6a])(CFFO)(F)2	O(C[6a]C[6a]2)(CCFF)	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	108.6728	6.120	298	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	2:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CHHO)(H)2	C(OC[5a])(CHHO)(H)2	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CHHO)(H)2	C(OC[5a])(CHHO)(H)2	O(C[5a]C[5a]2)(CCHH)	108.1370	0.000	1	108.1370	0.000	1	108.1370	0.000	1	108.6728	6.120	298	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	2:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CHHO)(H)2	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2)(CCHH)	108.7100	0.419	2	108.7100	0.175	2	107.8715	1.025	4	108.6728	6.120	298	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	2:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CHHO)(H)2	C(OC[6a])(CHHO)(H)2	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C(OC[6a])(CHHO)(H)2	O(C[6]C[6]2)(CCHH)	107.0330	0.296	2	107.0330	0.087	2	107.8715	1.025	4	108.6728	6.120	298	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	2:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(OC[6])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C(OC[6])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	108.2150	1.433	2	108.2150	2.052	2	108.6831	6.224	292	108.6728	6.120	298	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	2:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	109.8495	3.178	2	109.8495	10.103	2	108.6831	6.224	292	108.6728	6.120	298	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	2:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	107.6135	0.056	2	107.6135	0.003	2	108.6831	6.224	292	108.6728	6.120	298	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	2:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	108.6830	2.517	284	108.6830	6.334	284	108.6831	6.224	292	108.6728	6.120	298	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	2:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C(OC[6a])(CHHO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	109.0680	0.816	2	109.0680	0.666	2	108.6831	6.224	292	108.6728	6.120	298	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	2:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(H)2	C(OC[5])(CCHH)(CHHO)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C(OC[5])(CCHH)(CHHO)(H)	O(C[6a]C[6a]2)(CCHH)	109.8000	0.000	1	109.8000	0.000	1	109.1615	0.815	2	109.1615	0.815	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	2:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(H)2	C(OC[6a])(CHHO)(CH3)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C(OC[6a])(CHHO)(CH3)(H)	O(C[6a]C[6a]2)(CCHH)	108.5230	0.000	1	108.5230	0.000	1	109.1615	0.815	2	109.1615	0.815	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	3:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(NC[5]H)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(NC[5]H)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	111.1730	0.643	2	111.1730	0.414	2	107.8183	4.297	31	107.6467	3.770	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	3:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(NC[6a]C)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHN)(H)2	C(NC[6a]C)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	113.4790	0.000	1	113.4790	0.000	1	107.8183	4.297	31	107.6467	3.770	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	3:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(NC[6a]C)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(NC[6a]C)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.4727	0.253	6	107.4727	0.064	6	107.8183	4.297	31	107.6467	3.770	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	3:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(NC[6a]H)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(NC[6a]H)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.3503	1.801	22	107.3503	3.243	22	107.8183	4.297	31	107.6467	3.770	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	3:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHP)(H)2	C(PC[6a]2)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHP)(H)2	C(PC[6a]2)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	106.4844	0.806	5	106.4844	0.650	5	106.4844	0.650	5	107.6467	3.770	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	3:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CSeHH)(H)2	C(SeC[5]Cu)(CHHO)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	C(OC[6a])(CSeHH)(H)2	C(SeC[5]Cu)(CHHO)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	107.8915	0.446	2	107.8915	0.199	2	107.8915	0.199	2	107.6467	3.770	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	3:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C[6]-3:C-4:	C(OC[6])(CCHN)(H)2	C(NC[5]Pd)(CCCH)(CHHO)(H)	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CCHN)(H)2	C(NC[5]Pd)(CCCH)(CHHO)(H)	O(C[6]C[6]N[6])(CCHH)	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	3:4:4:4:	3:4:	O-2:C-4:H-1:H-1:	N-3:C-4:C-4:C-4:	C[6]-3:C-4:	C(OC[6])(CCCN)(H)2	C(NC[5]Pd)(CHHO)(CH3)2	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CCCN)(H)2	C(NC[5]Pd)(CHHO)(CH3)2	O(C[6]C[6]N[6])(CCHH)	113.8650	0.000	1	113.8650	0.000	1	113.8650	0.000	1	113.8650	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CBrHH)(H)2	C(CHHO)(Br)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CBrHH)(H)2	C(CHHO)(Br)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	105.4940	0.000	1	105.4940	0.000	1	108.8162	7.027	12	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CBrHH)(H)2	C(CHHO)(Br)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CBrHH)(H)2	C(CHHO)(Br)(H)2	O(C[6a]C[6a]2)(CCHH)	109.1182	2.555	11	109.1182	6.526	11	108.8162	7.027	12	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CClHH)(H)2	C(CHHO)(Cl)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CClHH)(H)2	C(CHHO)(Cl)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	106.0950	0.000	1	106.0950	0.000	1	107.5049	1.095	8	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CClHH)(H)2	C(CHHO)(Cl)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CClHH)(H)2	C(CHHO)(Cl)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	106.3880	0.000	1	106.3880	0.000	1	107.5049	1.095	8	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CClHH)(H)2	C(CHHO)(Cl)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CClHH)(H)2	C(CHHO)(Cl)(H)2	O(C[6a]C[6a]2)(CCHH)	107.9260	0.821	6	107.9260	0.673	6	107.5049	1.095	8	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[5a]-3:C-4:	C(OC[5a])(CF3)(H)2	C(CHHO)(F)3	O(C[5a]C[5a,6a]C[5a])(CCHH)	C(OC[5a])(CF3)(H)2	C(CHHO)(F)3	O(C[5a]C[5a,6a]C[5a])(CCHH)	106.5582	0.590	6	106.5582	0.348	6	106.5582	0.348	6	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[6a]-3:C-4:	C(OC[6a])(CF3)(H)2	C(CHHO)(F)3	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CF3)(H)2	C(CHHO)(F)3	O(C[6a]C[6a,6a]N[6a])(CCHH)	105.8950	0.799	2	105.8950	0.638	2	106.0985	3.604	14	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[6a]-3:C-4:	C(OC[6a])(CF3)(H)2	C(CHHO)(F)3	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CF3)(H)2	C(CHHO)(F)3	O(C[6a]C[6a]2)(CCHH)	105.9246	2.469	8	105.9246	6.094	8	106.0985	3.604	14	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[6a]-3:C-4:	C(OC[6a])(CF3)(H)2	C(CHHO)(F)3	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CF3)(H)2	C(CHHO)(F)3	O(C[6a]C[6a]N[6a])(CCHH)	106.9797	0.303	3	106.9797	0.092	3	106.0985	3.604	14	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[6a]-3:C-4:	C(OC[6a])(CF3)(H)2	C(CHHO)(F)3	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CF3)(H)2	C(CHHO)(F)3	O(C[6a]N[6a]2)(CCHH)	105.2530	0.000	1	105.2530	0.000	1	106.0985	3.604	14	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CFFH)(H)2	C(CHHO)(F)2(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CFFH)(H)2	C(CHHO)(F)2(H)	O(C[6a]C[6a]2)(CCHH)	106.5145	0.313	2	106.5145	0.098	2	106.5145	0.098	2	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CFHH)(H)2	C(CHHO)(F)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CFHH)(H)2	C(CHHO)(F)(H)2	O(C[6a]C[6a]2)(CCHH)	107.2890	0.000	1	107.2890	0.000	1	107.2890	0.000	1	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4a]-3:C-4:	C(OC[4a])(CH3)(H)2	C(CHHO)(H)3	O(C[4a]C[4a]2)(CCHH)	C(OC[4a])(CH3)(H)2	C(CHHO)(H)3	O(C[4a]C[4a]2)(CCHH)	107.2696	1.601	10	107.2696	2.563	10	107.2696	2.563	10	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,5]C[5])(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,5]C[5])(CCHH)	107.3730	0.000	2	107.3730	0.000	2	108.1632	3.092	34	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,5]N[5])(CCHH)	110.2640	4.105	2	110.2640	16.855	2	108.1632	3.092	34	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]N[5])(CCHH)	108.0565	0.930	2	108.0565	0.865	2	108.1632	3.092	34	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]2)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]2)(CCHH)	108.0252	1.890	5	108.0252	3.571	5	108.1632	3.092	34	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]N[5])(CCHH)	109.2687	1.470	7	109.2687	2.162	7	108.1632	3.092	34	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]O[5])(CCHH)	107.2791	0.907	14	107.2791	0.823	14	108.1632	3.092	34	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]N[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]N[5]O[5])(CCHH)	109.6245	3.524	2	109.6245	12.415	2	108.1632	3.092	34	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	O(C[5a]C[5a]2)(CCHH)	108.6970	0.586	3	108.6970	0.344	3	108.6310	2.777	34	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	O(C[5a]C[5a]N[5a])(CCHH)	109.6143	1.014	11	109.6143	1.029	11	108.6310	2.777	34	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	O(C[5a]C[5a]O[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	O(C[5a]C[5a]O[5a])(CCHH)	107.6265	0.370	2	107.6265	0.137	2	108.6310	2.777	34	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	O(C[5a]C[5a]S[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	O(C[5a]C[5a]S[5a])(CCHH)	108.4437	2.339	4	108.4437	5.473	4	108.6310	2.777	34	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	O(C[5a]N[5a,6a]C[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	O(C[5a]N[5a,6a]C[5a])(CCHH)	105.5420	0.000	1	105.5420	0.000	1	108.6310	2.777	34	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	O(C[5a]N[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	O(C[5a]N[5a]2)(CCHH)	108.5498	1.960	10	108.5498	3.840	10	108.6310	2.777	34	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	O(C[5a]N[5a]S[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	O(C[5a]N[5a]S[5a])(CCHH)	107.1797	0.635	3	107.1797	0.404	3	108.6310	2.777	34	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-3:C-4:	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	O(C[6,6]C[3x6]N[6,6])(CCHH)	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	O(C[6,6]C[3x6]N[6,6])(CCHH)	107.6395	0.066	2	107.6395	0.004	2	107.6395	0.004	2	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5,6]C[6])(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5,6]C[6])(CCHH)	106.8290	0.000	1	106.8290	0.000	1	107.7827	3.369	46	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5,6]N[6])(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5,6]N[6])(CCHH)	107.2470	0.291	4	107.2470	0.085	4	107.7827	3.369	46	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5a,6]2)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5a,6]2)(CCHH)	105.8315	0.398	2	105.8315	0.158	2	107.7827	3.369	46	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6,6]C[6])(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6,6]C[6])(CCHH)	107.8400	0.361	3	107.8400	0.130	3	107.7827	3.369	46	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6,6a]C[6])(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6,6a]C[6])(CCHH)	107.5245	0.644	2	107.5245	0.415	2	107.7827	3.369	46	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]2)(CCHH)	107.7479	1.345	18	107.7479	1.808	18	107.7827	3.369	46	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]N[6])(CCHH)	108.9581	3.587	7	108.9581	12.866	7	107.7827	3.369	46	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]O[6])(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]O[6])(CCHH)	107.3420	1.726	6	107.3420	2.981	6	107.7827	3.369	46	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]N[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]N[6]2)(CCHH)	109.3245	1.327	2	109.3245	1.762	2	107.7827	3.369	46	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]O[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]O[6]2)(CCHH)	107.0850	0.000	1	107.0850	0.000	1	107.7827	3.369	46	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[5,6a]C[6a])(CCHH)	108.3271	2.197	17	108.3271	4.828	17	107.9063	5.016	942	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[5a,6a]C[6a])(CCHH)	109.2523	2.384	24	109.2523	5.682	24	107.9063	5.016	942	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[6,6a]C[6a])(CCHH)	107.4796	0.745	16	107.4796	0.556	16	107.9063	5.016	942	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[6,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[6,6a]N[6a])(CCHH)	107.8937	1.270	4	107.8937	1.614	4	107.9063	5.016	942	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[6a,6a]C[5,6a])(CCHH)	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[6a,6a]C[5,6a])(CCHH)	109.8500	0.000	1	109.8500	0.000	1	107.9063	5.016	942	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[6a,6a]C[6a])(CCHH)	107.8922	1.660	5	107.8922	2.756	5	107.9063	5.016	942	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[6a,6a]N[6a])(CCHH)	107.0809	0.675	9	107.0809	0.455	9	107.9063	5.016	942	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[6a]2)(CCHH)	107.8795	2.272	840	107.8795	5.161	840	107.9063	5.016	942	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]C[6a]N[6a])(CCHH)	107.5249	1.732	21	107.5249	2.999	21	107.9063	5.016	942	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	O(C[6a]N[6a]2)(CCHH)	108.6134	2.701	5	108.6134	7.297	5	107.9063	5.016	942	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C[6]-3:C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(H)2(O)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C(CHHO)(H)2(O)	O(C[6]C[6]2)(CCHH)	109.3100	0.000	1	109.3100	0.000	1	109.3100	0.000	1	107.9001	4.790	1112	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CC)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CC)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	110.3730	0.000	1	110.3730	0.000	1	110.3730	0.000	1	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-2:H-1:O-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(H)2	C(CHHO)(CO)(H)(O)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C(CHHO)(CO)(H)(O)	O(C[6a]C[6a]2)(CCHH)	112.4470	0.000	1	112.4470	0.000	1	112.4470	0.000	1	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NC)(H)2	O(C[6a]C[6a]2)(CCHH)	107.4310	0.826	4	107.4310	0.682	4	107.0578	0.923	6	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NN)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NN)(H)2	O(C[6a]C[6a]2)(CCHH)	106.3115	0.947	2	106.3115	0.896	2	107.0578	0.923	6	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[5a]C[5a]2)(CCHH)	107.4285	0.514	8	107.4285	0.264	8	107.5267	0.442	12	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	107.8445	1.397	2	107.8445	1.950	2	107.5267	0.442	12	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[5a]N[5a,6]C[5a])(CCHH)	C(OC[5a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[5a]N[5a,6]C[5a])(CCHH)	108.2240	0.000	1	108.2240	0.000	1	107.5267	0.442	12	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CHHO)(H)2	C(CHHO)(OSi)(H)2	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CHHO)(H)2	C(CHHO)(OSi)(H)2	O(C[5a]C[5a]2)(CCHH)	106.9800	0.000	1	106.9800	0.000	1	107.5267	0.442	12	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6]2)(CCHH)	109.5219	2.853	12	109.5219	8.140	12	109.5219	8.140	12	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6a]C[6,6,6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6a]C[6,6,6a]2)(CCHH)	110.8275	1.486	2	110.8275	2.207	2	108.3353	3.694	1261	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	108.8094	2.932	74	108.8094	8.598	74	108.3353	3.694	1261	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	108.7739	2.035	57	108.7739	4.142	57	108.3353	3.694	1261	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6a]C[6a]2)(CCHH)	108.2886	1.838	1090	108.2886	3.378	1090	108.3353	3.694	1261	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	108.7564	2.226	5	108.7564	4.955	5	108.3353	3.694	1261	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6a]N[6a]2)(CCHH)	108.0563	1.494	3	108.0563	2.231	3	108.3353	3.694	1261	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OH)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OH)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	107.9275	0.069	2	107.9275	0.005	2	108.3353	3.694	1261	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OH)(H)2	O(C[6a]C[6a]2)(CCHH)	107.7819	1.239	22	107.7819	1.534	22	108.3353	3.694	1261	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OH)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OH)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	109.5190	0.000	1	109.5190	0.000	1	108.3353	3.694	1261	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OS)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OS)(H)2	O(C[6a]C[6a]2)(CCHH)	107.4810	1.028	3	107.4810	1.056	3	108.3353	3.694	1261	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OSi)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OSi)(H)2	O(C[6a]C[6a]2)(CCHH)	107.8000	0.491	2	107.8000	0.241	2	108.3353	3.694	1261	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHS)(H)2	C(CHHO)(SC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHS)(H)2	C(CHHO)(SC)(H)2	O(C[6a]C[6a]2)(CCHH)	110.8575	5.008	10	110.8575	25.082	10	110.1896	23.202	12	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:2:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHS)(H)2	C(CHHO)(SS)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHS)(H)2	C(CHHO)(SS)(H)2	O(C[6a]C[6a]2)(CCHH)	106.8500	1.648	2	106.8500	2.714	2	110.1896	23.202	12	108.3547	3.915	1305	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-3:F-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCFH)(H)2	C(CHHO)(CCH)(F)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCFH)(H)2	C(CHHO)(CCH)(F)(H)	O(C[6a]C[6a]2)(CCHH)	108.0810	0.000	1	108.0810	0.000	1	108.0810	0.000	1	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CCHH)(H)2	C(CHHO)(CCH)(H)2	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C(CHHO)(CCH)(H)2	O(C[6]C[6]2)(CCHH)	107.2605	1.132	2	107.2605	1.282	2	107.2605	1.282	2	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	109.5105	2.811	2	109.5105	7.900	2	107.4049	1.643	21	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	107.2729	1.026	12	107.2729	1.052	12	107.4049	1.643	21	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CHH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CHH)(H)2	O(C[6a]C[6a]2)(CCHH)	108.5630	0.000	1	108.5630	0.000	1	107.4049	1.643	21	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	106.7740	0.344	6	106.7740	0.118	6	107.4049	1.643	21	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CHHN)(H)2	C(CHHO)(NCH)(H)2	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHN)(H)2	C(CHHO)(NCH)(H)2	O(C[6]C[6]2)(CCHH)	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCC)(H)2	O(C[6a]C[6a]2)(CCHH)	107.8670	2.144	78	107.8670	4.596	78	107.9853	3.490	161	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCH)(H)2	O(C[6a]C[6a]2)(CCHH)	108.1239	1.360	74	108.1239	1.849	74	107.9853	3.490	161	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCS)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCS)(H)2	O(C[6a]C[6a]2)(CCHH)	106.4678	1.658	5	106.4678	2.749	5	107.9853	3.490	161	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NHP)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NHP)(H)2	O(C[6a]C[6a]2)(CCHH)	106.7480	0.785	2	106.7480	0.616	2	107.9853	3.490	161	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NNiC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NNiC)(H)2	O(C[6a]C[6a]2)(CCHH)	112.4550	0.000	1	112.4550	0.000	1	107.9853	3.490	161	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NZnC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NZnC)(H)2	O(C[6a]C[6a]2)(CCHH)	112.5450	0.000	1	112.5450	0.000	1	107.9853	3.490	161	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OBe2)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OBe2)(H)2	O(C[6a]C[6a]2)(CCHH)	112.1290	0.000	1	112.1290	0.000	1	107.8937	3.115	8	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OCaC)(H)2	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OCaC)(H)2	O(C[6a]N[6a]2)(CCHH)	107.2662	0.531	4	107.2662	0.282	4	107.8937	3.115	8	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OLiC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OLiC)(H)2	O(C[6a]C[6a]2)(CCHH)	107.3187	0.479	3	107.3187	0.229	3	107.8937	3.115	8	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHS)(H)2	C(CHHO)(SPdC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHS)(H)2	C(CHHO)(SPdC)(H)2	O(C[6a]C[6a]2)(CCHH)	108.2285	2.371	2	108.2285	5.621	2	108.2285	5.621	2	107.9194	3.221	196	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:3:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-3:N-3:F-1:	C[6a]-3:C-4:	C(OC[6a])(CFNN)(H)2	C(CHHO)(NOO)2(F)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CFNN)(H)2	C(CHHO)(NOO)2(F)	O(C[6a]C[6a]N[6a])(CCHH)	103.7263	1.724	3	103.7263	2.972	3	103.7263	2.972	3	103.7263	2.972	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:3:3:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C[6a]-3:C-4:	C(OC[6a])(CN3)(H)2	C(CHHO)(NOO)3	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CN3)(H)2	C(CHHO)(NOO)3	O(C[6a]N[6a]2)(CCHH)	105.1710	0.000	1	105.1710	0.000	1	105.1710	0.000	1	105.1710	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:3:4:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C[6]-3:C-4:	C(OC[6])(CCHN)(H)2	C(CC[6a]HH)(NC[5]Pd)(CHHO)(H)	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CCHN)(H)2	C(CC[6a]HH)(NC[5]Pd)(CHHO)(H)	O(C[6]C[6]N[6])(CCHH)	111.5755	0.648	2	111.5755	0.420	2	111.5755	0.420	2	111.5755	0.420	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:	C(OC[6a])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	O(C[6a]C[6a]2)(CCHH)	109.2260	0.232	2	109.2260	0.054	2	109.2260	0.054	2	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[4]-3:C-4:	C(OC[4])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[4]S[4]2)(CCHH)	C(OC[4])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[4]S[4]2)(CCHH)	107.7520	0.000	1	107.7520	0.000	1	107.6405	1.135	4	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[4]-3:C-4:	C(OC[4])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[4]S[4]2)(CCHH)	C(OC[4])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[4]S[4]2)(CCHH)	107.6033	1.302	3	107.6033	1.694	3	107.6405	1.135	4	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[4a]-3:C-4:	C(OC[4a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[4a]C[4a]2)(CCHH)	C(OC[4a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[4a]C[4a]2)(CCHH)	106.9640	0.000	1	106.9640	0.000	1	106.9640	0.000	1	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5,6]C[5])(CCHH)	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5,6]C[5])(CCHH)	106.7010	0.000	1	106.7010	0.000	1	107.6208	0.671	4	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5]2)(CCHH)	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5]2)(CCHH)	108.5400	0.000	1	108.5400	0.000	1	107.6208	0.671	4	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5]N[5])(CCHH)	107.6210	0.567	2	107.6210	0.322	2	107.6208	0.671	4	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5a]C[5a]2)(CCHH)	107.7400	0.739	13	107.7400	0.547	13	107.7993	1.789	22	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	107.3694	2.510	5	107.3694	6.298	5	107.7993	1.789	22	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5a]N[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5a]N[5a]2)(CCHH)	109.2400	0.000	1	109.2400	0.000	1	107.7993	1.789	22	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	O(C[5a]C[5a,6a]N[5a])(CCHH)	C(OC[5a])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	O(C[5a]C[5a,6a]N[5a])(CCHH)	107.1280	0.000	1	107.1280	0.000	1	107.7993	1.789	22	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CCHH)(H)2	C(CHHO)2(H)2	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C(CHHO)2(H)2	O(C[5a]C[5a]2)(CCHH)	108.8750	0.052	2	108.8750	0.003	2	107.7993	1.789	22	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CCHH)(H)2	C(CBrHH)(CHHO)(H)2	O(C[6]C[6,6]C[6])(CCHH)	C(OC[6])(CCHH)(H)2	C(CBrHH)(CHHO)(H)2	O(C[6]C[6,6]C[6])(CCHH)	106.8170	0.000	1	106.8170	0.000	1	107.8365	12.409	51	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6,6]C[6])(CCHH)	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6,6]C[6])(CCHH)	107.1120	0.031	2	107.1120	0.001	2	107.8365	12.409	51	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6]2)(CCHH)	108.2487	1.806	36	108.2487	3.261	36	107.8365	12.409	51	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6]N[6])(CCHH)	106.8960	0.025	2	106.8960	0.001	2	107.8365	12.409	51	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]N[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]N[6]2)(CCHH)	110.4470	0.000	1	110.4470	0.000	1	107.8365	12.409	51	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6]C[6]N[6])(CCHH)	108.1100	2.258	2	108.1100	5.101	2	107.8365	12.409	51	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CCHH)(H)2	C(CHHO)2(H)2	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C(CHHO)2(H)2	O(C[6]C[6]2)(CCHH)	105.6569	9.544	6	105.6569	91.089	6	107.8365	12.409	51	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	O(C[6]C[6]2)(CCHH)	107.2690	0.000	1	107.2690	0.000	1	107.8365	12.409	51	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CBrHH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CBrHH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	106.9504	0.766	5	106.9504	0.586	5	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CCCH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CCCH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.9625	2.326	11	107.9625	5.409	11	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CCCS)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CCCS)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	105.4070	0.000	1	105.4070	0.000	1	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[5,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[5,6a]2)(CCHH)	107.2660	1.478	2	107.2660	2.184	2	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	107.7920	1.358	24	107.7920	1.846	24	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[5a,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[5a,6a]2)(CCHH)	109.9545	1.370	2	109.9545	1.876	2	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[5a,6a]C[6a])(CCHH)	109.0247	2.613	4	109.0247	6.828	4	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[6,6,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[6,6,6a]2)(CCHH)	109.8790	0.000	1	109.8790	0.000	1	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	109.4089	2.503	12	109.4089	6.264	12	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	107.2250	0.698	12	107.2250	0.487	12	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	108.9742	2.379	36	108.9742	5.659	36	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	108.0963	2.059	771	108.0963	4.238	771	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	109.4620	5.424	14	109.4620	29.421	14	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6a]N[6a]2)(CCHH)	109.7225	3.079	2	109.7225	9.483	2	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	106.8895	2.577	2	106.8895	6.643	2	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CCHS)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CCHS)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	106.6190	0.000	1	106.6190	0.000	1	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CC[3]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CC[3]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	108.7570	0.602	2	108.7570	0.363	2	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	106.1670	1.065	2	106.1670	1.134	2	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	109.6387	2.431	3	109.6387	5.910	3	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	O(C[6a]C[5a,6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	O(C[6a]C[5a,6a]N[6a])(CCHH)	115.5240	0.000	1	115.5240	0.000	1	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.9063	0.901	11	107.9063	0.811	11	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	110.2000	0.000	1	110.2000	0.000	1	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	109.4058	4.611	5	109.4058	21.258	5	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CClHH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CClHH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	106.5914	0.942	9	106.5914	0.888	9	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	106.7723	1.234	3	106.7723	1.522	3	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	109.8374	3.487	7	109.8374	12.161	7	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CC3)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CC3)(H)2	O(C[6a]C[6a]2)(CCHH)	109.4372	3.282	5	109.4372	10.769	5	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	108.6180	0.527	4	108.6180	0.278	4	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	108.6154	0.615	7	108.6154	0.378	7	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	108.5910	0.000	1	108.5910	0.000	1	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6a]C[6a]2)(CCHH)	109.0268	2.114	226	109.0268	4.469	226	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	108.2324	0.821	8	108.2324	0.674	8	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6a]N[6a]2)(CCHH)	107.8975	0.120	2	107.8975	0.014	2	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)2(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)2(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	110.6600	0.000	1	110.6600	0.000	1	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)2(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)2(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	109.6462	2.331	8	109.6462	5.432	8	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)2(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)2(H)2	O(C[6a]C[6a]2)(CCHH)	108.5383	2.492	73	108.5383	6.209	73	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)2(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CHHO)2(H)2	O(C[6a]C[6a]N[6a])(CCHH)	109.2490	2.492	2	109.2490	6.209	2	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CN[5,5]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CN[5,5]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	106.4000	0.000	1	106.4000	0.000	1	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	108.4240	0.000	1	108.4240	0.000	1	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.7435	1.479	2	107.7435	2.186	2	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.4918	1.109	5	107.4918	1.231	5	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	O(C[6a]N[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	O(C[6a]N[6a]2)(CCHH)	111.4490	0.129	2	111.4490	0.017	2	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	105.8210	0.000	1	105.8210	0.000	1	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	106.8648	0.957	19	106.8648	0.916	19	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CN[6a]HH)(CHHO)(H)2	O(C[6a]C[5a,6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CN[6a]HH)(CHHO)(H)2	O(C[6a]C[5a,6a]N[6a])(CCHH)	108.1210	0.000	1	108.1210	0.000	1	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(H)2	C(CN[6a]HH)(CHHO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCHH)(H)2	C(CN[6a]HH)(CHHO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	105.9005	0.148	2	105.9005	0.022	2	108.3256	4.815	1315	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:O-1:	C[6]-3:C-4:	C(OC[6])(CCHO)(H)2	C(CHHO)2(H)(O)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHO)(H)2	C(CHHO)2(H)(O)	O(C[6]C[6]2)(CCHH)	108.3440	0.000	1	108.3440	0.000	1	108.3440	0.000	1	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:O-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(H)2	C(CHHO)2(H)(O)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C(CHHO)2(H)(O)	O(C[6a]C[6a]2)(CCHH)	108.1370	0.860	5	108.1370	0.739	5	108.1370	0.739	5	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NC3)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NC3)(H)2	O(C[6a]C[6a]2)(CCHH)	104.7620	2.980	2	104.7620	8.879	2	106.3099	5.868	122	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCCH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCCH)(H)2	O(C[6a]C[6a]2)(CCHH)	106.1784	2.446	104	106.1784	5.983	104	106.3099	5.868	122	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCHH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCHH)(H)2	O(C[6a]C[6a]2)(CCHH)	108.1527	1.803	8	108.1527	3.250	8	106.3099	5.868	122	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NH3)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NH3)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	105.4503	2.404	4	105.4503	5.780	4	106.3099	5.868	122	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NH3)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NH3)(H)2	O(C[6a]C[6a]2)(CCHH)	107.6760	0.451	4	107.6760	0.203	4	106.3099	5.868	122	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHP)(H)2	C(CHHO)(PBCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHP)(H)2	C(CHHO)(PBCC)(H)2	O(C[6a]C[6a]2)(CCHH)	106.4500	0.426	2	106.4500	0.181	2	106.4500	0.181	2	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CSiHH)(H)2	C(CHHO)(SiC3)(H)2	O(C[6a]C[5a,6a]N[6a])(CCHH)	C(OC[6a])(CSiHH)(H)2	C(CHHO)(SiC3)(H)2	O(C[6a]C[5a,6a]N[6a])(CCHH)	106.3710	0.000	1	106.3710	0.000	1	110.2423	11.177	7	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CSiHH)(H)2	C(CHHO)(SiC3)(H)2	O(C[6a]C[6a,6a]N[6a])(CCHH)	C(OC[6a])(CSiHH)(H)2	C(CHHO)(SiC3)(H)2	O(C[6a]C[6a,6a]N[6a])(CCHH)	106.9480	0.000	1	106.9480	0.000	1	110.2423	11.177	7	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CSiHH)(H)2	C(CHHO)(SiC3)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CSiHH)(H)2	C(CHHO)(SiC3)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	111.6754	2.782	5	111.6754	7.739	5	110.2423	11.177	7	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(H)2	C(NZnHH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHN)(H)2	C(NZnHH)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	105.9030	0.000	1	105.9030	0.000	1	105.9030	0.000	1	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHP)(H)2	C(PC[6a]2Cu)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHP)(H)2	C(PC[6a]2Cu)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	108.4400	0.812	2	108.4400	0.659	2	107.6288	2.967	12	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHP)(H)2	C(PC[6a]2Pd)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHP)(H)2	C(PC[6a]2Pd)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.4075	0.039	2	107.4075	0.002	2	107.6288	2.967	12	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHP)(H)2	C(PC[6a]2Rh)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CHHP)(H)2	C(PC[6a]2Rh)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	108.2613	2.280	4	108.2613	5.197	4	107.6288	2.967	12	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHP)(H)2	C(PC[6a]2Rh)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHP)(H)2	C(PC[6a]2Rh)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.9735	0.865	2	107.9735	0.748	2	107.6288	2.967	12	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHP)(H)2	C(PRuCC)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHP)(H)2	C(PRuCC)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	105.4290	1.646	2	105.4290	2.710	2	107.6288	2.967	12	108.1386	5.372	1549	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:2:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(H)2	C(CBrHH)(CHHO)(OC)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C(CBrHH)(CHHO)(OC)(H)	O(C[6a]C[6a]2)(CCHH)	113.1600	0.000	1	113.1600	0.000	1	107.7470	3.399	66	107.7470	3.399	66	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:2:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(H)2	C(CCHO)(CHHO)(OC)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C(CCHO)(CHHO)(OC)(H)	O(C[6a]C[6a]2)(CCHH)	109.9610	5.473	2	109.9610	29.954	2	107.7470	3.399	66	107.7470	3.399	66	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:2:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(H)2	C(CC[6a]HH)(CHHO)(OH)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C(CC[6a]HH)(CHHO)(OH)(H)	O(C[6a]C[6a]2)(CCHH)	107.3370	0.000	1	107.3370	0.000	1	107.7470	3.399	66	107.7470	3.399	66	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:2:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(H)2	C(CHHN)(CHHO)(OC)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHO)(H)2	C(CHHN)(CHHO)(OC)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	107.2620	0.000	1	107.2620	0.000	1	107.7470	3.399	66	107.7470	3.399	66	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:2:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(H)2	C(CHHN)(CHHO)(OH)(H)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CCHO)(H)2	C(CHHN)(CHHO)(OH)(H)	O(C[6a]C[5a,6a]C[6a])(CCHH)	107.8085	0.088	2	107.8085	0.008	2	107.7470	3.399	66	107.7470	3.399	66	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:2:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(H)2	C(CHHN)(CHHO)(OH)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHO)(H)2	C(CHHN)(CHHO)(OH)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	106.5115	0.002	2	106.5115	0.000	2	107.7470	3.399	66	107.7470	3.399	66	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:2:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(H)2	C(CHHN)(CHHO)(OH)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C(CHHN)(CHHO)(OH)(H)	O(C[6a]C[6a]2)(CCHH)	107.3339	2.530	8	107.3339	6.400	8	107.7470	3.399	66	107.7470	3.399	66	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:2:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(H)2	C(CHHO)(CH3)(OH)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C(CHHO)(CH3)(OH)(H)	O(C[6a]C[6a]2)(CCHH)	107.8990	0.462	2	107.8990	0.214	2	107.7470	3.399	66	107.7470	3.399	66	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:2:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(H)2	C(CHHO)2(OH)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHO)(H)2	C(CHHO)2(OH)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	108.6590	0.519	2	108.6590	0.269	2	107.7470	3.399	66	107.7470	3.399	66	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:2:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(H)2	C(CHHO)2(OH)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHO)(H)2	C(CHHO)2(OH)(H)	O(C[6a]C[6a]2)(CCHH)	107.8550	1.549	37	107.8550	2.399	37	107.7470	3.399	66	107.7470	3.399	66	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:2:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	106.5699	0.559	8	106.5699	0.312	8	107.7470	3.399	66	107.7470	3.399	66	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:3:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	O(C[6a]C[6a]2)(CCHH)	105.8380	0.000	1	105.8380	0.000	1	111.1773	16.972	9	111.1773	16.972	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:3:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHN)(H)2	C(CHHO)(CF3)(NCC)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C(CHHO)(CF3)(NCC)(H)	O(C[6a]C[6a]2)(CCHH)	114.9463	0.364	4	114.9463	0.132	4	111.1773	16.972	9	111.1773	16.972	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:3:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHN)(H)2	C(CHHO)(CH3)(NCH)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCHN)(H)2	C(CHHO)(CH3)(NCH)(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	113.1820	0.000	1	113.1820	0.000	1	111.1773	16.972	9	111.1773	16.972	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:3:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHN)(H)2	C(CHHO)(CH3)(NCH)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C(CHHO)(CH3)(NCH)(H)	O(C[6a]C[6a]2)(CCHH)	107.2637	0.204	3	107.2637	0.041	3	111.1773	16.972	9	111.1773	16.972	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:3:2:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:N-3:C-2:	C[6a]-3:C-4:	C(OC[6a])(CCCN)(H)2	C(CHHO)(CH3)(NCH)(CN)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCN)(H)2	C(CHHO)(CH3)(NCH)(CN)	O(C[6a]C[6a]2)(CCHH)	106.6660	0.000	1	106.6660	0.000	1	106.6660	0.000	1	106.6660	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:3:3:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C[5a]-3:C-4:	C(OC[5a])(CC3)(H)2	C(CCHH)(CHHO)(CCH)(COO)	O(C[5a]C[5a,6a]C[5a])(CCHH)	C(OC[5a])(CC3)(H)2	C(CCHH)(CHHO)(CCH)(COO)	O(C[5a]C[5a,6a]C[5a])(CCHH)	113.4900	0.000	1	113.4900	0.000	1	113.4900	0.000	1	113.4900	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[4]-3:C-4:	C(OC[4])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[4]S[4]2)(CCHH)	C(OC[4])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[4]S[4]2)(CCHH)	109.6313	1.648	3	109.6313	2.717	3	109.6313	2.717	3	108.5922	2.918	132	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:	C(OC[5a])(CCCH)(H)2	C(CCHH)2(CHHO)(H)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCCH)(H)2	C(CCHH)2(CHHO)(H)	O(C[5a]C[5a]2)(CCHH)	110.0187	2.891	3	110.0187	8.360	3	110.0187	8.360	3	108.5922	2.918	132	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:	C(OC[6])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6]C[6]2)(CCHH)	108.5127	0.412	3	108.5127	0.170	3	108.5127	0.170	3	108.5922	2.918	132	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCCH)(H)2	C(CCHH)(CHHO)(CH3)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C(CCHH)(CHHO)(CH3)(H)	O(C[6a]C[6a]2)(CCHH)	109.4695	1.960	4	109.4695	3.842	4	108.5356	2.904	121	108.5922	2.918	132	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCCH)(H)2	C(CCHH)2(CHHO)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C(CCHH)2(CHHO)(H)	O(C[6a]C[6a]2)(CCHH)	107.6380	0.461	2	107.6380	0.213	2	108.5356	2.904	121	108.5922	2.918	132	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCCH)(H)2	C(CC[5a]CH)(CCHH)(CHHO)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C(CC[5a]CH)(CCHH)(CHHO)(H)	O(C[6a]C[6a]2)(CCHH)	108.3350	0.000	1	108.3350	0.000	1	108.5356	2.904	121	108.5922	2.918	132	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6a]C[5,6a]C[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6a]C[5,6a]C[6a])(CCHH)	111.3285	0.023	2	111.3285	0.001	2	108.5356	2.904	121	108.5922	2.918	132	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6a]C[5a,6a]C[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6a]C[5a,6a]C[6a])(CCHH)	110.2629	1.822	10	110.2629	3.319	10	108.5356	2.904	121	108.5922	2.918	132	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6a]C[6a,6a]C[6a])(CCHH)	107.8651	1.107	55	107.8651	1.226	55	108.5356	2.904	121	108.5922	2.918	132	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6a]C[6a]2)(CCHH)	108.9101	1.922	43	108.9101	3.695	43	108.5356	2.904	121	108.5922	2.918	132	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6a]C[6a]N[6a])(CCHH)	C(OC[6a])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6a]C[6a]N[6a])(CCHH)	107.5817	0.443	4	107.5817	0.196	4	108.5356	2.904	121	108.5922	2.918	132	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHN)(H)2	C(CHHO)(CH3)(NH3)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C(CHHO)(CH3)(NH3)(H)	O(C[6a]C[6a]2)(CCHH)	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	108.5922	2.918	132	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHN)(H)2	C(CHHO)(NCHH)(CH3)(H)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCHN)(H)2	C(CHHO)(NCHH)(CH3)(H)	O(C[6a]C[6a]2)(CCHH)	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	108.5922	2.918	132	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:3:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C[6a]-3:C-4:	C(OC[6a])(CCCN)(H)2	C(CHHO)3(NHS)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CCCN)(H)2	C(CHHO)3(NHS)	O(C[6a]C[6a]2)(CCHH)	107.1037	1.493	3	107.1037	2.229	3	107.1037	2.229	3	107.1037	2.229	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:4:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6]-3:C-4:	C(OC[6])(CC3)(H)2	C(CHHO)4	O(C[6]C[6]2)(CCHH)	C(OC[6])(CC3)(H)2	C(CHHO)4	O(C[6]C[6]2)(CCHH)	106.4528	0.895	10	106.4528	0.801	10	106.4528	0.801	10	109.1235	8.102	83	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:4:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:	C(OC[6a])(CC3)(H)2	C(CBrHH)3(CHHO)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C(CBrHH)3(CHHO)	O(C[6a]C[6a]2)(CCHH)	107.6220	0.768	2	107.6220	0.590	2	109.4894	8.001	73	109.1235	8.102	83	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:4:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:	C(OC[6a])(CC3)(H)2	C(CHHO)(CH3)3	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C(CHHO)(CH3)3	O(C[6a]C[6a]2)(CCHH)	113.5967	9.184	3	113.5967	84.354	3	109.4894	8.001	73	109.1235	8.102	83	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:4:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:	C(OC[6a])(CC3)(H)2	C(CHHO)3(CH3)	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C(CHHO)3(CH3)	O(C[6a]C[6a]2)(CCHH)	108.2610	0.682	6	108.2610	0.465	6	109.4894	8.001	73	109.1235	8.102	83	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:1:1:	4:4:4:4:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:	C(OC[6a])(CC3)(H)2	C(CHHO)4	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CC3)(H)2	C(CHHO)4	O(C[6a]C[6a]2)(CCHH)	109.4698	2.353	62	109.4698	5.538	62	109.4894	8.001	73	109.1235	8.102	83	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:2:1:	3:4:3:1:	3:4:	O-2:C-4:O-2:H-1:	C-3:C-4:C-3:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCCH)(OC)(H)	C(CC[5a]C)(CHOO)(COO)(H)	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])(CCCH)(OC)(H)	C(CC[5a]C)(CHOO)(COO)(H)	O(C[6a]C[6a]2)(CCHO)	113.6680	0.000	1	113.6680	0.000	1	113.6680	0.000	1	113.6680	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:2:1:	4:1:1:1:	3:4:	O-2:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)(OC)(H)	C(CHOO)(H)3	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])(CH3)(OC)(H)	C(CHOO)(H)3	O(C[6a]C[6a]2)(CCHO)	108.1720	0.170	2	108.1720	0.029	2	108.1720	0.029	2	108.1720	0.029	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:2:1:	4:1:1:1:	4:3:	O-2:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(OC[6a])(CH3)(OC)(H)	C(CHOO)(H)3	O(CCHO)(COO)	C(OC[6a])(CH3)(OC)(H)	C(CHOO)(H)3	O(CCHO)(COO)	107.5465	0.064	2	107.5465	0.004	2	107.5465	0.004	2	107.5465	0.004	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:2:1:	4:3:1:1:	3:4:	O-2:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(OC)(H)	C(CHOO)(COO)(H)2	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])(CCHH)(OC)(H)	C(CHOO)(COO)(H)2	O(C[6a]C[6a]2)(CCHO)	107.6850	0.000	1	107.6850	0.000	1	107.6850	0.000	1	107.6850	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:3:1:	4:1:1:1:	3:4:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)(CNO)(H)	C(CCHO)(H)3	O(C[6a]C[6a,6a]C[6a])(CCCH)	C(OC[6a])(CH3)(CNO)(H)	C(CCHO)(H)3	O(C[6a]C[6a,6a]C[6a])(CCCH)	106.5965	0.033	2	106.5965	0.001	2	107.3099	4.258	54	107.3099	4.258	54	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:3:1:	4:1:1:1:	3:4:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)(CNO)(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(CNO)(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	109.9138	2.813	13	109.9138	7.912	13	107.3099	4.258	54	107.3099	4.258	54	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:3:1:	4:1:1:1:	3:4:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)(COO)(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)(COO)(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	106.4785	0.620	39	106.4785	0.385	39	107.3099	4.258	54	107.3099	4.258	54	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:3:1:	4:3:1:1:	3:4:	O-2:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHN)(CCH)(H)	C(CCHO)(NCS)(H)2	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CHHN)(CCH)(H)	C(CCHO)(NCS)(H)2	O(C[6a]C[6a]2)(CCCH)	113.2260	0.000	1	113.2260	0.000	1	113.2260	0.000	1	113.2260	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:3:1:	4:4:1:1:	3:4:	O-2:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(COO)(H)	C(CCHO)(CH3)(H)2	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(COO)(H)	C(CCHO)(CH3)(H)2	O(C[6a]C[6a]2)(CCCH)	106.6690	0.000	1	106.6690	0.000	1	106.6690	0.000	1	106.6690	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	2:4:1:1:	3:4:	O-2:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(CH3)(H)	C(OC[6a])(CCHO)(H)2	O(C[6a]C[6a]N[6a])(CCCH)	C(OC[6a])(CHHO)(CH3)(H)	C(OC[6a])(CCHO)(H)2	O(C[6a]C[6a]N[6a])(CCCH)	106.7180	0.000	1	106.7180	0.000	1	106.7180	0.000	1	106.7180	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	2:4:4:1:	3:4:	O-2:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(CH3)(H)	C(OC[6a])(CCHO)(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHO)(CH3)(H)	C(OC[6a])(CCHO)(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	109.5064	2.453	12	109.5064	6.018	12	109.5064	6.018	12	109.5064	6.018	12	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:	C(OC[4])(CH3)2(H)	C(CCHO)(H)3	O(C[4]S[4]2)(CCCH)	C(OC[4])(CH3)2(H)	C(CCHO)(H)3	O(C[4]S[4]2)(CCCH)	106.6307	2.788	6	106.6307	7.772	6	106.6307	7.772	6	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4a]-3:C-4:	C(OC[4a])(CH3)2(H)	C(CCHO)(H)3	O(C[4a]C[4a]2)(CCCH)	C(OC[4a])(CH3)2(H)	C(CCHO)(H)3	O(C[4a]C[4a]2)(CCCH)	106.5410	1.038	4	106.5410	1.078	4	106.5410	1.078	4	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(OC[5])(CH3)2(H)	C(CCHO)(H)3	O(C[5]C[5,6a]N[5])(CCCH)	C(OC[5])(CH3)2(H)	C(CCHO)(H)3	O(C[5]C[5,6a]N[5])(CCCH)	107.2645	2.324	2	107.2645	5.402	2	107.1773	3.041	26	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(OC[5])(CH3)2(H)	C(CCHO)(H)3	O(C[5]C[5]2)(CCCH)	C(OC[5])(CH3)2(H)	C(CCHO)(H)3	O(C[5]C[5]2)(CCCH)	107.1255	2.226	4	107.1255	4.953	4	107.1773	3.041	26	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(OC[5])(CH3)2(H)	C(CCHO)(H)3	O(C[5]N[5]O[5])(CCCH)	C(OC[5])(CH3)2(H)	C(CCHO)(H)3	O(C[5]N[5]O[5])(CCCH)	107.1789	1.713	20	107.1789	2.934	20	107.1773	3.041	26	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	O(C[6]C[6,6a]C[6])(CCCH)	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	O(C[6]C[6,6a]C[6])(CCCH)	108.2465	3.992	2	108.2465	15.933	2	107.3622	6.815	19	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	O(C[6]C[6]2)(CCCH)	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	O(C[6]C[6]2)(CCCH)	107.1863	2.501	12	107.1863	6.253	12	107.3622	6.815	19	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	O(C[6]C[6]N[6])(CCCH)	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	O(C[6]C[6]N[6])(CCCH)	107.6792	3.404	4	107.6792	11.589	4	107.3622	6.815	19	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	O(C[6]N[6]2)(CCCH)	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	O(C[6]N[6]2)(CCCH)	106.4350	0.000	1	106.4350	0.000	1	107.3622	6.815	19	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	108.4164	2.939	15	108.4164	8.637	15	107.7855	7.856	280	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(CH3)(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHO)(CH3)(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	106.4027	1.348	12	106.4027	1.816	12	107.7855	7.856	280	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)2(H)	C(CCHO)(H)3	O(C[6a]C[5,6a]C[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C(CCHO)(H)3	O(C[6a]C[5,6a]C[6a])(CCCH)	108.1365	2.188	2	108.1365	4.790	2	107.7855	7.856	280	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)2(H)	C(CCHO)(H)3	O(C[6a]C[5a,6a]C[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C(CCHO)(H)3	O(C[6a]C[5a,6a]C[6a])(CCCH)	107.5625	4.200	2	107.5625	17.636	2	107.7855	7.856	280	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)2(H)	C(CCHO)(H)3	O(C[6a]C[6a,6a]C[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C(CCHO)(H)3	O(C[6a]C[6a,6a]C[6a])(CCCH)	107.4880	2.453	8	107.4880	6.015	8	107.7855	7.856	280	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)2(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CH3)2(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	107.8374	2.867	230	107.8374	8.218	230	107.7855	7.856	280	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)2(H)	C(CCHO)(H)3	O(C[6a]C[6a]N[6a])(CCCH)	C(OC[6a])(CH3)2(H)	C(CCHO)(H)3	O(C[6a]C[6a]N[6a])(CCCH)	107.2764	2.700	10	107.2764	7.290	10	107.7855	7.856	280	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CHHO)(CH3)(H)	C(CCHO)(H)3	O(C[6a]C[6a]N[6a])(CCCH)	C(OC[6a])(CHHO)(CH3)(H)	C(CCHO)(H)3	O(C[6a]C[6a]N[6a])(CCCH)	110.1980	0.000	1	110.1980	0.000	1	107.7855	7.856	280	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Ge[6]-3:C-4:	C(OGe[6])(CH3)2(H)	C(CCHO)(H)3	O(Ge[6]N[6]2)(CCCH)	C(OGe[6])(CH3)2(H)	C(CCHO)(H)3	O(Ge[6]N[6]2)(CCCH)	108.7285	0.357	2	108.7285	0.128	2	108.7285	0.128	2	107.6850	7.317	337	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:3:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(CCH)(H)2	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(CCH)(H)2	O(C[6a]C[6a]2)(CCCH)	106.1720	0.000	1	106.1720	0.000	1	106.1720	0.000	1	107.1500	1.913	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:3:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCCH)(CHHN)(H)	C(CCHO)(NCC)(H)2	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCCH)(CHHN)(H)	C(CCHO)(NCC)(H)2	O(C[6a]C[6a]2)(CCCH)	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	107.1500	1.913	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:4:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CCCO)(CCHH)(H)	C(CC[6]HH)(CCHO)(H)2	O(C[6]C[6,6]C[6])(CCCH)	C(OC[6])(CCCO)(CCHH)(H)	C(CC[6]HH)(CCHO)(H)2	O(C[6]C[6,6]C[6])(CCCH)	111.8530	0.000	2	111.8530	0.000	2	111.8530	0.000	2	108.3353	6.548	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:4:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(CH3)(H)	C(CCHH)(CCHO)(H)2	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(CH3)(H)	C(CCHH)(CCHO)(H)2	O(C[6a]C[6a]2)(CCCH)	109.1405	0.657	2	109.1405	0.432	2	108.0155	5.886	22	108.3353	6.548	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:4:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(CH3)(H)2	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(CH3)(H)2	O(C[6a]C[6a]2)(CCCH)	107.4651	2.118	10	107.4651	4.487	10	108.0155	5.886	22	108.3353	6.548	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:4:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)2(H)2	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)2(H)2	O(C[6a]C[6a]2)(CCCH)	110.7065	2.427	2	110.7065	5.893	2	108.0155	5.886	22	108.3353	6.548	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:4:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)2(H)	C(CCHH)(CCHO)(H)2	O(C[6a]C[6,6a]C[6a])(CCCH)	C(OC[6a])(CCHH)2(H)	C(CCHH)(CCHO)(H)2	O(C[6a]C[6,6a]C[6a])(CCCH)	106.9005	2.346	4	106.9005	5.503	4	108.0155	5.886	22	108.3353	6.548	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:4:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHH)2(H)	C(CCHH)(CCHO)(H)2	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCHH)2(H)	C(CCHH)(CCHO)(H)2	O(C[6a]C[6a]2)(CCCH)	108.5985	3.367	4	108.5985	11.335	4	108.0155	5.886	22	108.3353	6.548	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:4:4:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCCH)(CHHN)(H)	C(CCHO)(CHHN)(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	C(OC[6a])(CCCH)(CHHN)(H)	C(CCHO)(CHHN)(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	108.4660	0.000	1	108.4660	0.000	1	108.4660	0.000	1	108.4660	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:1:	4:4:4:2:	3:4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C[6]-3:C-4:	C(OC[6])(CCCO)(CCHH)(H)	C(CCHO)(CH3)2(OH)	O(C[6]C[6,6]C[6])(CCCH)	C(OC[6])(CCCO)(CCHH)(H)	C(CCHO)(CH3)2(OH)	O(C[6]C[6,6]C[6])(CCCH)	104.2270	0.000	2	104.2270	0.000	2	104.2270	0.000	2	104.2270	0.000	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:2:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	111.2452	0.625	6	111.2452	0.391	6	109.8163	8.940	10	109.8163	8.940	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:2:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)2(CC)	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CC)	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	106.7720	3.735	2	106.7720	13.950	2	109.8163	8.940	10	109.8163	8.940	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:2:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)2(CN)	C(CCCO)(H)3	O(C[6a]C[6a,6a]C[6a])(CC3)	C(OC[6a])(CH3)2(CN)	C(CCCO)(H)3	O(C[6a]C[6a,6a]C[6a])(CC3)	108.5740	5.539	2	108.5740	30.686	2	109.8163	8.940	10	109.8163	8.940	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:2:	4:3:3:1:	3:4:	O-2:C-4:C-4:C-2:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(CNO)(NHS)(H)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(CNO)(NHS)(H)	O(C[6a]C[6a]2)(CC3)	103.5020	0.000	1	103.5020	0.000	1	103.7720	0.146	2	103.7720	0.146	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:2:	4:3:3:1:	3:4:	O-2:C-4:C-4:C-2:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(COO)(NHS)(H)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(COO)(NHS)(H)	O(C[6a]C[6a]2)(CC3)	104.0420	0.000	1	104.0420	0.000	1	103.7720	0.146	2	103.7720	0.146	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:2:	4:4:3:1:	3:4:	O-2:C-4:C-4:C-2:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(CHHO)(NHS)(H)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(CHHO)(NHS)(H)	O(C[6a]C[6a]2)(CC3)	102.1002	0.707	4	102.1002	0.500	4	102.1002	0.500	4	102.1002	0.500	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:3:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)2(CCC)	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CCC)	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	106.1892	3.936	6	106.1892	15.488	6	108.3383	16.459	58	108.3383	16.459	58	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:3:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)2(CCH)	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CCH)	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	106.5110	4.411	2	106.5110	19.456	2	108.3383	16.459	58	108.3383	16.459	58	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:3:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)2(CNO)	C(CCCO)(H)3	O(C[6a]C[6a,6a]N[6a])(CC3)	C(OC[6a])(CH3)2(CNO)	C(CCCO)(H)3	O(C[6a]C[6a,6a]N[6a])(CC3)	106.8755	5.977	2	106.8755	35.727	2	108.3383	16.459	58	108.3383	16.459	58	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:3:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)2(CNO)	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(CNO)	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	110.5659	2.529	18	110.5659	6.398	18	108.3383	16.459	58	108.3383	16.459	58	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:3:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)2(COO)	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)2(COO)	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	107.6509	4.373	30	107.6509	19.125	30	108.3383	16.459	58	108.3383	16.459	58	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	2:4:4:4:	3:4:	O-2:C-4:C-4:C-4:	O-2:C-4:C-4:C-4:	B[5]-3:C-4:	C(OB[5])(CCCO)(CH3)2	C(OB[5])(CCCO)(CH3)2	O(B[5]O[5]2)(CC3)	C(OB[5])(CCCO)(CH3)2	C(OB[5])(CCCO)(CH3)2	O(B[5]O[5]2)(CC3)	103.8690	0.008	2	103.8690	0.000	2	103.8690	0.000	2	103.8690	0.000	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-3:C-4:	C(OB[5])(CCCO)(CH3)2	C(CCCO)(H)3	O(B[5]O[5]2)(CC3)	C(OB[5])(CCCO)(CH3)2	C(CCCO)(H)3	O(B[5]O[5]2)(CC3)	109.3748	1.100	6	109.3748	1.210	6	109.1947	1.734	8	107.9310	13.724	85	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-3:C-4:	C(OB[5])(CCCO)(CH3)2	C(CCCO)(H)3	O(B[5]Si[5]C[5])(CC3)	C(OB[5])(CCCO)(CH3)2	C(CCCO)(H)3	O(B[5]Si[5]C[5])(CC3)	108.6545	2.304	2	108.6545	5.311	2	109.1947	1.734	8	107.9310	13.724	85	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5]2)(CC3)	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5]2)(CC3)	107.0520	3.983	6	107.0520	15.867	6	107.0490	16.007	9	107.9310	13.724	85	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5]O[5])(CC3)	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5]O[5])(CC3)	107.0430	4.936	3	107.0430	24.362	3	107.0490	16.007	9	107.9310	13.724	85	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(OC[5a])(CH3)3	C(CCCO)(H)3	O(C[5a]C[5a]O[5a])(CC3)	C(OC[5a])(CH3)3	C(CCCO)(H)3	O(C[5a]C[5a]O[5a])(CC3)	107.1737	3.058	3	107.1737	9.349	3	107.1737	9.349	3	107.9310	13.724	85	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)3	C(CCCO)(H)3	O(C[6]C[6]N[6])(CC3)	C(OC[6])(CH3)3	C(CCCO)(H)3	O(C[6]C[6]N[6])(CC3)	107.3013	4.853	3	107.3013	23.551	3	107.5600	20.018	6	107.9310	13.724	85	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(OC[6])(CH3)3	C(CCCO)(H)3	O(C[6]N[6]O[6])(CC3)	C(OC[6])(CH3)3	C(CCCO)(H)3	O(C[6]N[6]O[6])(CC3)	107.8187	5.128	3	107.8187	26.293	3	107.5600	20.018	6	107.9310	13.724	85	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHN)(CH3)2	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHN)(CH3)2	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	110.9100	1.445	2	110.9100	2.089	2	107.8519	16.064	53	107.9310	13.724	85	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(CH3)2	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHO)(CH3)2	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	107.1033	4.160	6	107.1033	17.307	6	107.8519	16.064	53	107.9310	13.724	85	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)3	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CH3)3	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	107.8307	4.008	39	107.8307	16.065	39	107.8519	16.064	53	107.9310	13.724	85	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(OC[6a])(CH3)3	C(CCCO)(H)3	O(C[6a]C[6a]N[6a])(CC3)	C(OC[6a])(CH3)3	C(CCCO)(H)3	O(C[6a]C[6a]N[6a])(CC3)	107.7188	4.775	6	107.7188	22.805	6	107.8519	16.064	53	107.9310	13.724	85	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[4]-3:C-4:	C(OGe[4])(CH3)3	C(CCCO)(H)3	O(Ge[4]N[4]2)(CC3)	C(OGe[4])(CH3)3	C(CCCO)(H)3	O(Ge[4]N[4]2)(CC3)	108.7987	2.575	3	108.7987	6.632	3	108.7987	6.632	3	107.9310	13.724	85	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[6]-3:C-4:	C(OGe[6])(CH3)3	C(CCCO)(H)3	O(Ge[6]C[5,6]N[6])(CC3)	C(OGe[6])(CH3)3	C(CCCO)(H)3	O(Ge[6]C[5,6]N[6])(CC3)	109.2347	2.759	3	109.2347	7.612	3	109.2347	7.612	3	107.9310	13.724	85	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:4:2:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(CH3)2	C(CCCO)(CHHO)(OC)(H)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHO)(CH3)2	C(CCCO)(CHHO)(OC)(H)	O(C[6a]C[6a]2)(CC3)	106.4270	0.445	2	106.4270	0.198	2	107.6450	4.550	3	107.6450	4.550	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:4:2:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHO)(CH3)2	C(CCCO)(CHHO)(OH)(H)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHO)(CH3)2	C(CCCO)(CHHO)(OH)(H)	O(C[6a]C[6a]2)(CC3)	110.0810	0.000	1	110.0810	0.000	1	107.6450	4.550	3	107.6450	4.550	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:4:3:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:	C(OC[6a])(CCHN)(CH3)2	C(CCCO)(CH3)(NHS)(H)	O(C[6a]C[6a]2)(CC3)	C(OC[6a])(CCHN)(CH3)2	C(CCCO)(CH3)(NHS)(H)	O(C[6a]C[6a]2)(CC3)	102.6790	0.000	1	102.6790	0.000	1	102.6790	0.000	1	102.6790	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:4:4:2:	3:4:	O-2:C-4:C-4:C-4:	C-4:C-4:C-4:O-2:	B[5]-3:C-4:	C(OB[5])(CCCO)(CH3)2	C(CCCO)(CH3)2(OB)	O(B[5]O[5]2)(CC3)	C(OB[5])(CCCO)(CH3)2	C(CCCO)(CH3)2(OB)	O(B[5]O[5]2)(CC3)	103.4130	0.000	1	103.4130	0.000	1	103.8120	0.318	2	103.8120	0.318	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	2:4:4:4:	4:4:4:2:	3:4:	O-2:C-4:C-4:C-4:	C-4:C-4:C-4:O-2:	B[5]-3:C-4:	C(OB[5])(CCCO)(CH3)2	C(CCCO)(CH3)2(OH)	O(B[5]Si[5]C[5])(CC3)	C(OB[5])(CCCO)(CH3)2	C(CCCO)(CH3)2(OH)	O(B[5]Si[5]C[5])(CC3)	104.2110	0.000	1	104.2110	0.000	1	103.8120	0.318	2	103.8120	0.318	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:1:1:1:	3:4:	C-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]O)(OC[6a])(CH3)(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]O)(OC[6a])(CH3)(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	105.6445	0.459	2	105.6445	0.211	2	105.7512	0.230	5	105.4539	0.750	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:1:1:1:	3:4:	C-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(CN[5]O)(OC[6a])(CH3)(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	C(CN[5]O)(OC[6a])(CH3)(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	105.8223	0.579	3	105.8223	0.335	3	105.7512	0.230	5	105.4539	0.750	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:1:1:1:	3:4:	C[5]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	C(CC[5]HO)(H)3	O(C[6a]C[6a]2)(CC[5]CH)	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	C(CC[5]HO)(H)3	O(C[6a]C[6a]2)(CC[5]CH)	105.7190	0.000	1	105.7190	0.000	1	105.7190	0.000	1	105.4539	0.750	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:1:1:1:	3:4:	C[5a]-3:O-2:C-4:H-1:	C-4:F-1:F-1:F-1:	Ge[6]-3:C-4:	C(C[5a]C[5a]S[5a])(OGe[6])(CF3)(H)	C(CC[5a]HO)(F)3	O(Ge[6]N[6]2)(CC[5a]CH)	C(C[5a]C[5a]S[5a])(OGe[6])(CF3)(H)	C(CC[5a]HO)(F)3	O(Ge[6]N[6]2)(CC[5a]CH)	106.8960	0.000	1	106.8960	0.000	1	106.8960	0.000	1	105.4539	0.750	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:1:1:1:	3:4:	C[6a]-3:O-2:C-4:H-1:	C-4:Br-1:Br-1:F-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CBr2F)(H)	C(CC[6a]HO)(Br)2(F)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CBr2F)(H)	C(CC[6a]HO)(Br)2(F)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	106.7110	0.000	1	106.7110	0.000	1	106.7110	0.000	1	105.4539	0.750	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:1:1:1:	3:4:	C[6a]-3:O-2:C-4:H-1:	C-4:F-1:F-1:F-1:	Ge[6]-3:C-4:	C(C[6a]C[6a]2)(OGe[6])(CF3)(H)	C(CC[6a]HO)(F)3	O(Ge[6]N[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OGe[6])(CF3)(H)	C(CC[6a]HO)(F)3	O(Ge[6]N[6]2)(CC[6a]CH)	106.8580	0.000	1	106.8580	0.000	1	106.8580	0.000	1	105.4539	0.750	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:1:1:1:	3:4:	C[6a]-3:O-2:C-4:H-1:	C-4:F-1:F-1:I-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CFFI)(H)	C(CC[6a]HO)(F)2(I)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CFFI)(H)	C(CC[6a]HO)(F)2(I)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	106.1480	0.000	1	106.1480	0.000	1	106.1480	0.000	1	105.4539	0.750	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:1:1:1:	3:4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[6a]C[6a]2)(CC[6a]CH)	105.3152	0.864	5	105.3152	0.747	5	104.9081	0.421	12	105.4539	0.750	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:1:1:1:	3:4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[6a]N[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[6a]N[6a]2)(CC[6a]CH)	104.6173	0.192	7	104.6173	0.037	7	104.9081	0.421	12	105.4539	0.750	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:2:1:1:	3:4:	C-3:O-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]N)(OC[6a])(CHHO)(H)	C(CCHO)(OH)(H)2	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]N)(OC[6a])(CHHO)(H)	C(CCHO)(OH)(H)2	O(C[6a]C[6a]2)(CCCH)	108.2890	0.000	1	108.2890	0.000	1	108.2890	0.000	1	108.2890	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:3:1:1:	3:4:	C[6a]-3:O-2:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C(CC[6a]HO)(NCC)(H)2	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C(CC[6a]HO)(NCC)(H)2	O(C[6a]C[6a]2)(CC[6a]CH)	108.8942	0.552	4	108.8942	0.304	4	109.2210	0.762	5	109.2210	0.762	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:3:1:1:	3:4:	C[6a]-3:O-2:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C(CC[6a]HO)(NCH)(H)2	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C(CC[6a]HO)(NCH)(H)2	O(C[6a]C[6a]2)(CC[6a]CH)	110.5280	0.000	1	110.5280	0.000	1	109.2210	0.762	5	109.2210	0.762	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:3:3:1:	3:4:	C[6a]-3:O-2:C-4:H-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	C(CC[6a]HO)(CNO)(NCH)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	C(CC[6a]HO)(CNO)(NCH)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	109.8015	1.169	2	109.8015	1.366	2	109.8015	1.366	2	109.8015	1.366	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:4:1:1:	3:4:	C[5a]-3:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(C[5a]C[5a]S[5a])(OC[6a])(CCHH)(H)	C(CC[5a]HO)(CHHN)(H)2	O(C[6a]C[6a,6a]C[6a])(CC[5a]CH)	C(C[5a]C[5a]S[5a])(OC[6a])(CCHH)(H)	C(CC[5a]HO)(CHHN)(H)2	O(C[6a]C[6a,6a]C[6a])(CC[5a]CH)	106.4930	0.000	1	106.4930	0.000	1	106.4930	0.000	1	105.4137	0.526	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:4:1:1:	3:4:	C[6a]-3:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	C(CC[6a]HO)(CHHN)(H)2	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	C(CC[6a]HO)(CHHN)(H)2	O(C[6a]C[6a]2)(CC[6a]CH)	105.0540	0.109	3	105.0540	0.012	3	105.0540	0.012	3	105.4137	0.526	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:1:	4:4:2:1:	3:4:	N[5a]-3:O-2:C-4:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	C(CN[5a]HO)(CC3)(OC)(H)	O(C[6a]C[6a]2)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	C(CN[5a]HO)(CC3)(OC)(H)	O(C[6a]C[6a]2)(CN[5a]CH)	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:2:	4:4:1:1:	3:4:	C[6a]-3:O-2:C-4:O-2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	C(CC[6a]OO)(CH3)(H)2	O(C[6a]C[6a]2)(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	C(CC[6a]OO)(CH3)(H)2	O(C[6a]C[6a]2)(CC[6a]CO)	112.3895	0.445	2	112.3895	0.198	2	112.3895	0.198	2	112.3895	0.198	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:3:	4:3:1:1:	3:4:	C[6a]-3:O-2:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHH)(COO)	C(CC[6a]CO)(CCH)(H)2	O(C[6a]C[6a]2)(CC[6a]CC)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(COO)	C(CC[6a]CO)(CCH)(H)2	O(C[6a]C[6a]2)(CC[6a]CC)	104.6265	0.473	4	104.6265	0.224	4	104.6265	0.224	4	104.6265	0.224	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:4:	4:1:1:1:	3:4:	C-3:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]C[5])(OC[6a])(CH3)2	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	C(CC[6a]C[5])(OC[6a])(CH3)2	C(CCCO)(H)3	O(C[6a]C[6a]2)(CC3)	106.5915	2.631	2	106.5915	6.923	2	106.5915	6.923	2	107.4200	15.290	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:4:	4:1:1:1:	3:4:	C[5a]-3:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(C[5a]C[5a]S[5a])(OC[6a])(CH3)2	C(CC[5a]CO)(H)3	O(C[6a]C[6a]2)(CC[5a]CC)	C(C[5a]C[5a]S[5a])(OC[6a])(CH3)2	C(CC[5a]CO)(H)3	O(C[6a]C[6a]2)(CC[5a]CC)	109.0410	5.913	2	109.0410	34.962	2	109.0410	34.962	2	107.4200	15.290	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:2:4:4:	4:1:1:1:	3:4:	C[6]-3:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(C[6]C[6]S[6])(OC[6a])(CH3)2	C(CC[6]CO)(H)3	O(C[6a]C[6a]2)(CC[6]CC)	C(C[6]C[6]S[6])(OC[6a])(CH3)2	C(CC[6]CO)(H)3	O(C[6a]C[6a]2)(CC[6]CC)	106.6275	5.165	2	106.6275	26.682	2	106.6275	26.682	2	107.4200	15.290	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:3:4:2:	4:3:1:1:	4:3:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:Ge-3:	C(C[6a]C[6a]2)2(CHHN)(OGe)	C(CC[6a]2O)(NCC)(H)2	O(CC[6a]2C)(GePdO)	C(C[6a]C[6a]2)2(CHHN)(OGe)	C(CC[6a]2O)(NCC)(H)2	O(CC[6a]2C)(GePdO)	106.5030	0.000	1	106.5030	0.000	1	106.5030	0.000	1	106.5030	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:3:4:1:	4:3:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:N[6]-3:C-4:H-1:	C-4:C-3:	C(C[5a]C[5a]O[5a])(CC[5a]N[6]H)(OC)(H)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	O(CC[5a]CH)(CC[6a]O)	C(C[5a]C[5a]O[5a])(CC[5a]N[6]H)(OC)(H)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	O(CC[5a]CH)(CC[6a]O)	107.0320	0.000	1	107.0320	0.000	1	107.0320	0.000	1	107.3680	0.226	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:3:4:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]2H)(OC)(H)	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CC[6a]2H)(OC)(H)	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	O(CC[6a]CH)(CCO)	107.7040	0.000	1	107.7040	0.000	1	107.7040	0.000	1	107.3680	0.226	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:1:1:	3:4:	C-3:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]O)(CHHN)(OC)(H)	C(NC[6a]C)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CC[6a]O)(CHHN)(OC)(H)	C(NC[6a]C)(CCHO)(H)2	O(CC[6a]O)(CCCH)	107.1390	0.000	1	107.1390	0.000	1	107.1390	0.000	1	107.8710	0.456	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:1:1:	3:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	B[5]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OB[5])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	O(B[5]O[5]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(OB[5])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	O(B[5]O[5]2)(CC[6a]CH)	108.2370	0.328	2	108.2370	0.108	2	108.2370	0.108	2	107.8710	0.456	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:3:	C[6a]-3:C-4:O-2:F-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(F)	C(C[6a]C[6a]2)(CC[6a]FO)(H)2	O(CC[6a]CF)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(F)	C(C[6a]C[6a]2)(CC[6a]FO)(H)2	O(CC[6a]CF)(CC[6a]O)	104.9030	0.000	1	104.9030	0.000	1	104.9030	0.000	1	105.4712	0.624	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(NC[6a]C[6])(CC[6a]HO)(H)2	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(NC[6a]C[6])(CC[6a]HO)(H)2	O(CC[6a]CH)(CC[6a]O)	104.7930	0.000	1	104.7930	0.000	1	104.7930	0.000	1	105.4712	0.624	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CN[6]HH)(OC)(H)	C(N[6]C[6]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CN[6]HH)(OC)(H)	C(N[6]C[6]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(CC[6a]O)	106.0945	0.559	2	106.0945	0.313	2	106.0945	0.313	2	105.4712	0.624	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:2:1:	3:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	B[5]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	O(B[5]O[5]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	O(B[5]O[5]2)(CC[6a]CH)	106.8680	0.000	1	106.8680	0.000	1	106.8680	0.000	1	107.9373	8.079	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:2:1:	3:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	109.7390	0.000	1	109.7390	0.000	1	108.0900	9.208	7	107.9373	8.079	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:2:1:	3:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	O(C[6a]C[6a]2)(CC[6a]CH)	107.8152	3.227	6	107.8152	10.415	6	108.0900	9.208	7	107.9373	8.079	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	O(CC[6a]CH)(CCO)	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	107.4614	8.807	15	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(CC[6a]O)	102.0210	0.000	1	102.0210	0.000	1	107.3839	9.388	14	107.4614	8.807	15	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CC[3]O)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CC[3]O)	109.3796	3.201	5	109.3796	10.247	5	107.3839	9.388	14	107.4614	8.807	15	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	106.1480	2.079	4	106.1480	4.320	4	107.3839	9.388	14	107.4614	8.807	15	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	O(CC[6a]CH)(CC[6a]O)	109.4590	0.000	1	109.4590	0.000	1	107.3839	9.388	14	107.4614	8.807	15	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(CCO)	107.7890	0.000	1	107.7890	0.000	1	107.3839	9.388	14	107.4614	8.807	15	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(CC[3]O)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(CC[3]O)	106.3075	2.553	2	106.3075	6.520	2	107.3839	9.388	14	107.4614	8.807	15	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:3:1:	3:4:	C[6a]-3:C-4:O-2:H-1:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:4:1:	3:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:S-4:F-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]FS)(OC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(SCOO)(F)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]FS)(OC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(SCOO)(F)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	106.3670	0.000	1	106.3670	0.000	1	106.3670	0.000	1	106.3670	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	3:4:4:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	O(CC[6a]CH)(CCO)	106.2620	0.676	3	106.2620	0.457	3	106.2620	0.457	3	106.2620	0.457	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	3:4:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CC[6a]O)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	C(CC[6a]O)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	105.8430	0.643	2	105.8430	0.414	2	106.0247	0.306	3	106.8768	2.287	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	3:4:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CC[6a]O)(CH3)(OC)(H)	C(CCHO)(H)3	O(CN[6]O)(CCCH)	C(CC[6a]O)(CH3)(OC)(H)	C(CCHO)(H)3	O(CN[6]O)(CCCH)	106.3880	0.000	1	106.3880	0.000	1	106.0247	0.306	3	106.8768	2.287	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	3:4:	C[6a]-3:C-4:O-2:H-1:	C-4:Br-1:H-1:H-1:	C[5]-3:C-4:	C(C[6a]C[6a]2)(CBrHH)(OC[5])(H)	C(CC[6a]HO)(Br)(H)2	O(C[5]C[5,6a]N[5])(CC[6a]CH)	C(C[6a]C[6a]2)(CBrHH)(OC[5])(H)	C(CC[6a]HO)(Br)(H)2	O(C[5]C[5,6a]N[5])(CC[6a]CH)	105.6560	0.000	1	105.6560	0.000	1	105.6560	0.000	1	106.8768	2.287	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	3:4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[5,5,6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[5,5,6]O)(CC[6a]CH)	108.7655	0.139	2	108.7655	0.019	2	108.7655	0.019	2	106.8768	2.287	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CC[6]O)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CC[6]O)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	106.0640	0.000	1	106.0640	0.000	1	106.6052	0.288	4	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CC[6a]O)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CC[6a]O)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	106.6140	0.000	1	106.6140	0.000	1	106.6052	0.288	4	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CClN)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CClN)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	106.4090	0.000	1	106.4090	0.000	1	106.6052	0.288	4	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CN[5]O)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CN[5]O)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	107.3340	0.000	1	107.3340	0.000	1	106.6052	0.288	4	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[4]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[4]C[4,5,6]C[4])(CH3)(OC)(H)	C(CC[4]HO)(H)3	O(CC[4]CH)(CC[6a]O)	C(C[4]C[4,5,6]C[4])(CH3)(OC)(H)	C(CC[4]HO)(H)3	O(CC[4]CH)(CC[6a]O)	109.1020	0.000	1	109.1020	0.000	1	109.1020	0.000	1	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[6]2)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CC[6a]O)	C(C[6]C[6]2)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CC[6a]O)	104.4320	0.000	1	104.4320	0.000	1	105.9007	1.630	3	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[6]N[6])(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CCO)	C(C[6]C[6]N[6])(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CCO)	106.6350	0.154	2	106.6350	0.024	2	105.9007	1.630	3	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCl3)(OC)(H)	C(CC[6a]HO)(Cl)3	O(CC[6a]CH)(CNO)	C(C[6a]C[6a]2)(CCl3)(OC)(H)	C(CC[6a]HO)(Cl)3	O(CC[6a]CH)(CNO)	104.5420	0.000	1	104.5420	0.000	1	104.5420	0.000	1	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:C-3:	C(C[6a]C[6a]2)(CF3)(OC)(H)	C(CC[6a]HO)(F)3	O(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CF3)(OC)(H)	C(CC[6a]HO)(F)3	O(CC[6a]CH)(COO)	102.5030	2.220	2	102.5030	4.930	2	102.5030	4.930	2	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CC[6a]O)	106.0293	1.284	3	106.0293	1.649	3	106.8567	3.201	18	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CCH)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CCH)	105.3960	0.000	1	105.3960	0.000	1	106.8567	3.201	18	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CCO)	107.1905	2.932	2	107.1905	8.599	2	106.8567	3.201	18	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CC[3]O)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CC[3]O)	106.8580	0.129	2	106.8580	0.017	2	106.8567	3.201	18	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CC[5]O)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CC[5]O)	106.4550	0.000	1	106.4550	0.000	1	106.8567	3.201	18	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CC[6]O)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CC[6]O)	108.6432	0.195	4	108.6432	0.038	4	106.8567	3.201	18	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CC[6a]O)	104.1200	0.000	1	104.1200	0.000	1	106.8567	3.201	18	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CNO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CNO)	105.1040	0.000	1	105.1040	0.000	1	106.8567	3.201	18	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CN[5]O)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CN[5]O)	110.2650	0.000	1	110.2650	0.000	1	106.8567	3.201	18	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]O[6a])(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]O[6a])(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CC[6a]O)	105.6615	0.125	2	105.6615	0.016	2	106.8567	3.201	18	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	N[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	C(CN[5a]HO)(H)3	O(CN[5a]CH)(COO)	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	C(CN[5a]HO)(H)3	O(CN[5a]CH)(COO)	108.0170	0.000	1	108.0170	0.000	1	109.0626	4.830	5	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	N[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(N[5a]N[5a]2)(CH3)(OC)(H)	C(CN[5a]HO)(H)3	O(CN[5a]CH)(CCO)	C(N[5a]N[5a]2)(CH3)(OC)(H)	C(CN[5a]HO)(H)3	O(CN[5a]CH)(CCO)	109.4883	2.969	3	109.4883	8.814	3	109.0626	4.830	5	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	N[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(N[5a]N[5a]2)(CH3)(OC)(H)	C(CN[5a]HO)(H)3	O(CN[5a]CH)(COO)	C(N[5a]N[5a]2)(CH3)(OC)(H)	C(CN[5a]HO)(H)3	O(CN[5a]CH)(COO)	108.8310	0.000	1	108.8310	0.000	1	109.0626	4.830	5	106.8090	4.798	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:3:	C-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CC[5]H)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCO)	C(CC[5]H)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCO)	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	108.7991	5.929	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C(CC[6a]HO)(OC)(H)2	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C(CC[6a]HO)(OC)(H)2	O(CC[6a]CH)(CCO)	112.7215	0.094	2	112.7215	0.009	2	108.8221	6.664	9	108.7991	5.929	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C(CC[6a]HO)(OC)(H)2	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C(CC[6a]HO)(OC)(H)2	O(CC[6a]CH)(CC[6a]O)	106.5533	0.669	4	106.5533	0.448	4	108.8221	6.664	9	108.7991	5.929	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C(CC[6a]HO)(OC[6a])(H)2	O(CC[6a]CH)(CC[6a]C)	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C(CC[6a]HO)(OC[6a])(H)2	O(CC[6a]CH)(CC[6a]C)	109.1410	0.000	1	109.1410	0.000	1	108.8221	6.664	9	108.7991	5.929	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C(CC[6a]HO)(OC[6a])(H)2	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C(CC[6a]HO)(OC[6a])(H)2	O(CC[6a]CH)(CC[6a]O)	109.3010	0.629	2	109.3010	0.396	2	108.8221	6.664	9	108.7991	5.929	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Br-1:Br-1:	C-4:C-3:	C(C[6a]C[6a]2)(CBr2C)(OC)(H)	C(CC[6a]HO)(CC[6a]O)(Br)2	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CBr2C)(OC)(H)	C(CC[6a]HO)(CC[6a]O)(Br)2	O(CC[6a]CH)(CCO)	104.3210	0.000	1	104.3210	0.000	1	104.3210	0.000	1	104.9931	3.373	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Cl-1:F-1:	C-4:C-3:	C(C[6a]C[6a]2)(CClCF)(OC)(H)	C(CC[6a]HO)(COO)(Cl)(F)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CClCF)(OC)(H)	C(CC[6a]HO)(COO)(Cl)(F)	O(CC[6a]CH)(CC[6a]O)	102.9710	0.000	1	102.9710	0.000	1	102.9710	0.000	1	104.9931	3.373	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Cl-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C(CC[6a]HO)(CNO)(Cl)(H)	O(CC[6a]CH)(CHO)	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C(CC[6a]HO)(CNO)(Cl)(H)	O(CC[6a]CH)(CHO)	102.7770	0.000	1	102.7770	0.000	1	102.7770	0.000	1	104.9931	3.373	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCH)(H)2	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCH)(H)2	O(CC[6a]CH)(CCO)	106.6653	1.624	4	106.6653	2.638	4	105.5893	3.594	9	104.9931	3.373	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCH)(H)2	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCH)(H)2	O(CC[6a]CH)(CC[6a]O)	104.3063	1.726	4	104.3063	2.978	4	105.5893	3.594	9	104.9931	3.373	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CC[5]C)(H)2	O(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CC[5]C)(H)2	O(CC[6a]CH)(COO)	106.4180	0.000	1	106.4180	0.000	1	105.5893	3.594	9	104.9931	3.373	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:I-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C(CC[6a]HO)(COO)(H)(I)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C(CC[6a]HO)(COO)(H)(I)	O(CC[6a]CH)(CCO)	102.4360	0.000	1	102.4360	0.000	1	104.6586	2.222	7	104.9931	3.373	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:I-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C(CC[6a]HO)(COO)(H)(I)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C(CC[6a]HO)(COO)(H)(I)	O(CC[6a]CH)(CC[6a]O)	105.0290	1.230	6	105.0290	1.514	6	104.6586	2.222	7	104.9931	3.373	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:Cl-1:Cl-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	C(CC[6a]HO)(NOO)(Cl)2	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	C(CC[6a]HO)(NOO)(Cl)2	O(CC[6a]CH)(CC[6a]O)	103.6205	0.484	2	103.6205	0.235	2	103.6205	0.235	2	104.9931	3.373	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NCC)(H)2	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NCC)(H)2	O(CC[6a]CH)(CC[6a]O)	105.9000	0.000	1	105.9000	0.000	1	107.3085	3.968	2	104.9931	3.373	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NC[6a]S)(H)2	O(CC[6a]CH)(CC[6a]C)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NC[6a]S)(H)2	O(CC[6a]CH)(CC[6a]C)	108.7170	0.000	1	108.7170	0.000	1	107.3085	3.968	2	104.9931	3.373	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:3:2:1:	4:3:	C[6]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(C[6]C[6]2)(CCHO)(OC)(H)	C(CC[6]HO)(CCH)(OC)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]2)(CCHO)(OC)(H)	C(CC[6]HO)(CCH)(OC)(H)	O(CC[6]CH)(CCO)	103.3770	0.000	1	103.3770	0.000	1	103.3770	0.000	1	104.7450	3.743	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:3:2:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	O(CC[6a]CH)(CCO)	106.1130	0.000	1	106.1130	0.000	1	106.1130	0.000	1	104.7450	3.743	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:3:	C-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5,6]O)(CCHH)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CCO)	C(CC[5,6]O)(CCHH)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CCO)	105.0365	1.771	2	105.0365	3.138	2	105.1990	1.648	3	106.3107	2.530	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:3:	C-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CN[5]O)(CCHH)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(CCO)	C(CN[5]O)(CCHH)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(CCO)	105.5240	0.000	1	105.5240	0.000	1	105.1990	1.648	3	106.3107	2.530	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:3:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[5]C[5]2)(CCHH)(OC)(H)	C(CC[5]HO)(CCCH)(H)2	O(CC[5]CH)(CCO)	C(C[5]C[5]2)(CCHH)(OC)(H)	C(CC[5]HO)(CCCH)(H)2	O(CC[5]CH)(CCO)	106.7905	0.267	2	106.7905	0.071	2	106.7905	0.071	2	106.3107	2.530	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:3:	C[5]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[5]HO)(H)2	O(CC[5]CH)(CCO)	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[5]HO)(H)2	O(CC[5]CH)(CCO)	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	106.3107	2.530	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:3:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	O(CC[6]CH)(CCO)	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	O(CC[6]CH)(CCO)	105.6170	0.000	1	105.6170	0.000	1	105.6170	0.000	1	106.3107	2.530	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CC[6a]HO)(CCHH)(Br)(H)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CC[6a]HO)(CCHH)(Br)(H)	O(CC[6a]CH)(CC[6a]O)	107.3650	0.000	1	107.3650	0.000	1	107.3650	0.000	1	106.3107	2.530	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:Cl-1:Cl-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCl2C)(OC)(H)	C(CC[6a]HO)2(Cl)2	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCl2C)(OC)(H)	C(CC[6a]HO)2(Cl)2	O(CC[6a]CH)(CC[6a]O)	104.1345	0.173	2	104.1345	0.030	2	104.1345	0.030	2	106.3107	2.530	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C(CC[6a]HO)(CClCH)(Cl)(H)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C(CC[6a]HO)(CClCH)(Cl)(H)	O(CC[6a]CH)(CC[6a]O)	107.1500	0.000	1	107.1500	0.000	1	107.1500	0.000	1	106.3107	2.530	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	C-4:C-3:	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	C(CC[6a]HO)(CH3)(F)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	C(CC[6a]HO)(CH3)(F)(H)	O(CC[6a]CH)(CCO)	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	106.3107	2.530	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CHHN)(H)2	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CHHN)(H)2	O(CC[6a]CH)(CCO)	105.1260	0.000	1	105.1260	0.000	1	106.4797	2.193	4	106.3107	2.530	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CHHN)(H)2	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CHHN)(H)2	O(CC[6a]CH)(CC[6a]O)	107.1630	0.000	1	107.1630	0.000	1	106.4797	2.193	4	106.3107	2.530	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CHHO)(H)2	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CHHO)(H)2	O(CC[6a]CH)(CCO)	106.8150	2.014	2	106.8150	4.056	2	106.4797	2.193	4	106.3107	2.530	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:3:	C-3:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:C-3:	C(CN[5]O)(CCHN)(OC)(H)	C(CCHN)(CCHO)(NN)(H)	O(CCCH)(CCO)	C(CN[5]O)(CCHN)(OC)(H)	C(CCHN)(CCHO)(NN)(H)	O(CCCH)(CCO)	111.9200	0.000	1	111.9200	0.000	1	111.9200	0.000	1	107.1850	9.528	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:3:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CCO)	105.3550	0.000	1	105.3550	0.000	1	104.0433	1.336	3	107.1850	9.528	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:3:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CCO)	103.6010	0.000	1	103.6010	0.000	1	104.0433	1.336	3	107.1850	9.528	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:3:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	O(CC[6]CH)(CCO)	103.1740	0.000	1	103.1740	0.000	1	104.0433	1.336	3	107.1850	9.528	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CCFF)(OC)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CCFF)(OC)(H)	O(CC[6a]CH)(CCO)	107.4830	0.000	1	107.4830	0.000	1	108.1230	4.280	5	107.1850	9.528	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CH3)(OC)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CH3)(OC)(H)	O(CC[6a]CH)(CCO)	111.1680	0.000	1	111.1680	0.000	1	108.1230	4.280	5	107.1850	9.528	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CH3)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CH3)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	105.4050	0.000	1	105.4050	0.000	1	108.1230	4.280	5	107.1850	9.528	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	C(CC[6a]HO)(CCHO)(OC)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	C(CC[6a]HO)(CCHO)(OC)(H)	O(CC[6a]CH)(CCO)	108.2795	0.060	2	108.2795	0.004	2	108.1230	4.280	5	107.1850	9.528	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:3:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(C[5a]C[5a]O[5a])(CCCH)(OC)(H)	C(CC[5a]HO)(CCHH)(CCC)(H)	O(CC[5a]CH)(CCO)	C(C[5a]C[5a]O[5a])(CCCH)(OC)(H)	C(CC[5a]HO)(CCHH)(CCC)(H)	O(CC[5a]CH)(CCO)	106.2150	0.000	1	106.2150	0.000	1	106.2150	0.000	1	106.6308	1.465	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]2H)(CC[6a]HO)(CNO)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]2H)(CC[6a]HO)(CNO)(H)	O(CC[6a]CH)(CCO)	107.1850	1.960	2	107.1850	3.842	2	106.4104	2.481	5	106.6308	1.465	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HN)(CC[6a]HO)(COO)(H)	O(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HN)(CC[6a]HO)(COO)(H)	O(CC[6a]CH)(COO)	104.4240	0.000	1	104.4240	0.000	1	106.4104	2.481	5	106.6308	1.465	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CH3)(CCH)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CH3)(CCH)(H)	O(CC[6a]CH)(CCO)	106.6290	0.916	2	106.6290	0.840	2	106.4104	2.481	5	106.6308	1.465	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CC3)(NCH)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CC3)(NCH)(H)	O(CC[6a]CH)(CCO)	106.1530	0.000	1	106.1530	0.000	1	106.8153	1.438	9	106.6308	1.465	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	O(CC[6a]CH)(CCO)	107.8300	2.090	2	107.8300	4.369	2	106.8153	1.438	9	106.6308	1.465	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	O(CC[6a]CH)(CC[5,6]O)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	O(CC[6a]CH)(CC[5,6]O)	106.0290	0.000	1	106.0290	0.000	1	106.8153	1.438	9	106.6308	1.465	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	O(CC[6a]CH)(CC[6a]O)	105.1260	0.000	1	105.1260	0.000	1	106.8153	1.438	9	106.6308	1.465	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCH)(H)	O(CC[6a]CH)(CC[5,6]O)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCH)(H)	O(CC[6a]CH)(CC[5,6]O)	106.7790	0.000	1	106.7790	0.000	1	106.8153	1.438	9	106.6308	1.465	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CHHO)(NCH)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CHHO)(NCH)(H)	O(CC[6a]CH)(CCO)	107.1970	0.602	3	107.1970	0.363	3	106.8153	1.438	9	106.6308	1.465	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:Si-3:	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C(CC[6a]HO)(CCCH)(NCC)(H)	O(CC[6a]CH)(SiCC)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C(CC[6a]HO)(CCCH)(NCC)(H)	O(CC[6a]CH)(SiCC)	107.3600	0.000	1	107.3600	0.000	1	107.3600	0.000	1	106.6308	1.465	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6]CH)(OC)(H)	C(C[6]C[6]2H)(CC[6a]HO)(COO)(H)	O(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CC[6]CH)(OC)(H)	C(C[6]C[6]2H)(CC[6a]HO)(COO)(H)	O(CC[6a]CH)(COO)	105.7590	0.000	1	105.7590	0.000	1	105.7590	0.000	1	106.6308	1.465	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:3:2:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:C-3:	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CH3)(COS)(OH)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CH3)(COS)(OH)	O(CC[6a]CH)(CCO)	104.9010	0.000	1	104.9010	0.000	1	104.9010	0.000	1	104.9010	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:3:	C-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[5,6]O)(CCCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(CCO)	C(CC[5,6]O)(CCCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(CCO)	104.9760	0.328	2	104.9760	0.108	2	104.9760	0.108	2	107.4728	5.201	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	O(CC[6a]CH)(CCO)	107.4200	0.000	1	107.4200	0.000	1	108.0970	4.446	8	107.4728	5.201	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCH)(CCHH)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCH)(CCHH)(H)	O(CC[6a]CH)(CCO)	106.2870	2.555	2	106.2870	6.530	2	108.0970	4.446	8	107.4728	5.201	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCO)(CH3)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCO)(CH3)(H)	O(CC[6a]CH)(CCO)	108.2015	0.203	2	108.2015	0.041	2	108.0970	4.446	8	107.4728	5.201	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCHH)(CH3)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCHH)(CH3)(H)	O(CC[6a]CH)(CCO)	109.9670	0.000	1	109.9670	0.000	1	108.0970	4.446	8	107.4728	5.201	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	O(CC[6a]CH)(CCO)	111.6100	0.000	1	111.6100	0.000	1	108.0970	4.446	8	107.4728	5.201	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(C[6a]N[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CH3)2(H)	O(CC[6a]CH)(CCO)	C(C[6a]N[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CH3)2(H)	O(CC[6a]CH)(CCO)	106.8020	0.000	1	106.8020	0.000	1	108.0970	4.446	8	107.4728	5.201	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:4:2:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	O(CC[6a]CH)(CCO)	106.5445	0.555	2	106.5445	0.308	2	105.6092	2.794	5	105.6092	2.794	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:4:2:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	O(CC[6a]CH)(CC[6a]O)	105.7690	0.000	1	105.7690	0.000	1	105.6092	2.794	5	105.6092	2.794	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:4:2:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CCCO)(CCHH)(OH)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CCCO)(CCHH)(OH)	O(CC[6a]CH)(CC[6a]O)	104.5940	2.652	2	104.5940	7.031	2	105.6092	2.794	5	105.6092	2.794	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:4:3:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]HO)(CCHH)(CH3)(CCH)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]HO)(CCHH)(CH3)(CCH)	O(CC[6a]CH)(CC[6a]O)	107.3030	0.000	1	107.3030	0.000	1	106.5380	0.446	3	106.5380	0.446	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:4:3:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]HO)(CH3)2(CCH)	O(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]HO)(CH3)2(CCH)	O(CC[6a]CH)(CCO)	106.1555	0.121	2	106.1555	0.015	2	106.5380	0.446	3	106.5380	0.446	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:4:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]N[6a])(CC3)(OC)(H)	C(CC[6a]HO)(CH3)3	O(CC[6a]CH)(COO)	C(C[6a]C[6a,6a]N[6a])(CC3)(OC)(H)	C(CC[6a]HO)(CH3)3	O(CC[6a]CH)(COO)	106.9070	0.000	1	106.9070	0.000	1	106.5115	0.313	2	106.5115	0.313	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:1:	4:4:4:4:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]CC)(CC[6a]HO)(CH3)2	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]CC)(CC[6a]HO)(CH3)2	O(CC[6a]CH)(CC[6a]O)	106.1160	0.000	1	106.1160	0.000	1	106.5115	0.313	2	106.5115	0.313	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:2:	3:4:3:1:	4:3:	C[6a]-3:C-4:O-2:O-2:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(OC)2	C(C[6a]C[6a]2)(CC[6a]OO)(NCH)(H)	O(CC[6a]CO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)2	C(C[6a]C[6a]2)(CC[6a]OO)(NCH)(H)	O(CC[6a]CO)(CC[6a]C)	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:2:	4:1:1:1:	4:3:	C[6a]-3:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(CC)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CH3)(CC)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CC[6a]O)	103.6930	0.000	1	103.6930	0.000	1	103.6930	0.000	1	103.6930	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:2:	4:3:1:1:	4:3:	C[6a]-3:C-4:O-2:O-2:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CHHN)(OC)2	C(CC[6a]OO)(NCH)(H)2	O(CC[6a]CO)(CC[6a]C)	C(C[6a]C[6a]2)(CHHN)(OC)2	C(CC[6a]OO)(NCH)(H)2	O(CC[6a]CO)(CC[6a]C)	106.6035	5.126	2	106.6035	26.274	2	106.6035	26.274	2	106.6035	26.274	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:2:	4:4:1:1:	4:3:	C-3:C-4:C-2:O-2:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]O)(CCHH)(CN)(OC)	C(CC[6a]HH)(CCCO)(H)2	O(CC3)(CNO)	C(CC[6a]O)(CCHH)(CN)(OC)	C(CC[6a]HH)(CCCO)(H)2	O(CC3)(CNO)	104.8930	0.000	1	104.8930	0.000	1	104.8930	0.000	1	104.8930	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:2:	4:4:3:1:	4:3:	C[6a]-3:C-4:C-2:O-2:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(CC[6a]CO)(CCHH)(NCS)(H)	O(CC[6a]CC)(CC[3]O)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(CC[6a]CO)(CCHH)(NCS)(H)	O(CC[6a]CC)(CC[3]O)	103.8380	0.000	1	103.8380	0.000	1	104.0130	0.191	3	104.0130	0.191	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:2:	4:4:3:1:	4:3:	C[6a]-3:C-4:C-2:O-2:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(CC[6a]CO)(CCHH)(NCS)(H)	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(CC[6a]CO)(CCHH)(NCS)(H)	O(CC[6a]CC)(CC[6a]O)	103.6900	0.000	1	103.6900	0.000	1	104.0130	0.191	3	104.0130	0.191	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:2:2:	4:4:3:1:	4:3:	C[6a]-3:C-4:C-2:O-2:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	O(CC[6a]CC)(CCO)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	O(CC[6a]CC)(CCO)	104.5110	0.000	1	104.5110	0.000	1	104.0130	0.191	3	104.0130	0.191	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:3:	C[6a]-3:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:C-3:	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(CHH)	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(CHH)	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	110.4350	0.791	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:3:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(CHO)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CH3)(CHO)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CC[6a]O)	111.0640	0.000	1	111.0640	0.000	1	111.0640	0.000	1	110.4350	0.791	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	3:4:3:1:	4:3:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCF)(H)	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCF)(H)	O(CC[6a]CC)(CC[6a]O)	101.0330	0.000	1	101.0330	0.000	1	99.4895	4.765	2	99.4895	4.765	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	3:4:3:1:	4:3:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	O(CC[6a]CC)(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	O(CC[6a]CC)(CCO)	97.9459	0.000	1	97.9459	0.000	1	99.4895	4.765	2	99.4895	4.765	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:1:1:1:	3:4:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CN[5]O)(CH3)2(OC)	C(CCCO)(H)3	O(CC[6a]C)(CC3)	C(CN[5]O)(CH3)2(OC)	C(CCCO)(H)3	O(CC[6a]C)(CC3)	106.6343	4.085	4	106.6343	16.686	4	106.6343	16.686	4	106.6343	16.686	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:3:	C-3:C-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CFeO)(CH3)(PC3)(OC)	C(CCOP)(H)3	O(CCCP)(CFeO)	C(CFeO)(CH3)(PC3)(OC)	C(CCOP)(H)3	O(CCCP)(CFeO)	110.3092	0.479	5	110.3092	0.229	5	110.3092	0.229	5	108.7227	9.190	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:3:	C[6a]-3:C-4:C-4:O-2:	C-4:Br-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CBrHH)(CCHH)(OC)	C(CC[6a]CO)(Br)(H)2	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CBrHH)(CCHH)(OC)	C(CC[6a]CO)(Br)(H)2	O(CC[6a]CC)(CC[6a]O)	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	108.7227	9.190	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:3:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC3)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CC3)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CC[6a]O)	110.5890	0.000	1	110.5890	0.000	1	107.8643	11.662	12	108.7227	9.190	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:3:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CC[6a]O)	109.7360	0.156	2	109.7360	0.024	2	107.8643	11.662	12	108.7227	9.190	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:3:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CCO)	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CCO)	110.1650	0.000	1	110.1650	0.000	1	107.8643	11.662	12	108.7227	9.190	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:3:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CNO)	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CNO)	105.8010	5.036	2	105.8010	25.361	2	107.8643	11.662	12	108.7227	9.190	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:3:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CCO)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CCO)	108.5790	0.000	1	108.5790	0.000	1	107.8643	11.662	12	108.7227	9.190	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:3:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CC[6a]O)	109.1440	0.000	1	109.1440	0.000	1	107.8643	11.662	12	108.7227	9.190	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:3:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)2(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CCO)	C(C[6a]C[6a]2)(CH3)2(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CCO)	106.6655	4.477	2	106.6655	20.041	2	107.8643	11.662	12	108.7227	9.190	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:3:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)2(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CC[5]O)	C(C[6a]C[6a]2)(CH3)2(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CC[5]O)	105.7450	6.372	2	105.7450	40.608	2	107.8643	11.662	12	108.7227	9.190	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:3:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CBrHH)(CCHH)(OC)	C(CC[6a]CO)(CCl2C)(H)2	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CBrHH)(CCHH)(OC)	C(CC[6a]CO)(CCl2C)(H)2	O(CC[6a]CC)(CC[6a]O)	112.4640	0.000	1	112.4640	0.000	1	106.9648	23.288	4	106.9648	23.288	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:3:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CC[6a]CO)(CCHH)(H)2	O(CC[6a]CC)(CNO)	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CC[6a]CO)(CCHH)(H)2	O(CC[6a]CC)(CNO)	106.2730	4.661	2	106.2730	21.727	2	106.9648	23.288	4	106.9648	23.288	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:3:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CC[6a]CO)(CH3)(H)2	O(CC[6a]CC)(CCO)	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CC[6a]CO)(CH3)(H)2	O(CC[6a]CC)(CCO)	102.8490	0.000	1	102.8490	0.000	1	106.9648	23.288	4	106.9648	23.288	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:4:3:1:	4:3:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CC[6a]CO)(CH3)(COO)(H)	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CC[6a]CO)(CH3)(COO)(H)	O(CC[6a]CC)(CC[6a]O)	100.8700	0.243	2	100.8700	0.059	2	100.8700	0.059	2	100.8700	0.059	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	3:4:4:2:	4:4:4:2:	4:3:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-2:	C-4:C-3:	C(C[6a]C[6a]2)(CC3)(CH3)(OC)	C(CC[6a]CO)(CH3)2(CC)	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CC3)(CH3)(OC)	C(CC[6a]CO)(CH3)2(CC)	O(CC[6a]CC)(CC[6a]O)	101.4070	0.000	1	101.4070	0.000	1	101.4070	0.000	1	101.4070	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	2:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(OC[5a])(CHHO)(H)2	O(CC[5a]O)(CCHH)	C(CHHO)(OC)(H)2	C(OC[5a])(CHHO)(H)2	O(CC[5a]O)(CCHH)	107.3410	0.000	1	107.3410	0.000	1	110.5011	5.134	7	109.8722	5.590	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	2:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(OC[6])(CHHO)(H)2	O(CC[6]O)(CCHH)	C(CHHO)(OC)(H)2	C(OC[6])(CHHO)(H)2	O(CC[6]O)(CCHH)	112.2880	0.000	1	112.2880	0.000	1	110.5011	5.134	7	109.8722	5.590	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	2:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CC[5]O)(CCHH)	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CC[5]O)(CCHH)	110.6513	1.944	3	110.6513	3.778	3	110.5011	5.134	7	109.8722	5.590	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	2:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CC[6a]C)(CCHH)	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CC[6a]C)(CCHH)	113.1510	0.000	1	113.1510	0.000	1	110.5011	5.134	7	109.8722	5.590	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	2:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CC[6a]O)(CCHH)	108.7740	0.000	1	108.7740	0.000	1	110.5011	5.134	7	109.8722	5.590	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	2:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-3:C-4:	C(CHHS)(OC)(H)2	C(SC[5])(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CHHS)(OC)(H)2	C(SC[5])(CHHO)(H)2	O(CC[6a]O)(CCHH)	107.6710	1.205	2	107.6710	1.452	2	107.6710	1.452	2	109.8722	5.590	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:	C(CHHO)(OC)(H)2	C(OC[6])(CHHO)(H)2	O(CCHH)(CCO)	C(CHHO)(OC)(H)2	C(OC[6])(CHHO)(H)2	O(CCHH)(CCO)	107.3370	0.000	1	107.3370	0.000	1	107.1257	0.033	3	107.9336	1.311	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CCHH)(CCH)	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CCHH)(CCH)	107.0200	0.000	2	107.0200	0.000	2	107.1257	0.033	3	107.9336	1.311	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-3:	C(CHHS)(OC)(H)2	C(SC[6a])(CHHO)(H)2	O(CCHH)(CCO)	C(CHHS)(OC)(H)2	C(SC[6a])(CHHO)(H)2	O(CCHH)(CCO)	109.1455	0.531	2	109.1455	0.282	2	109.1455	0.282	2	107.9336	1.311	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	2:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	O-2:C-4:C-4:H-1:	C-3:C-4:	C(CCHO)(OC)(H)2	C(OC[6])(CCHO)(CHHO)(H)	O(CC[6a]O)(CCHH)	C(CCHO)(OC)(H)2	C(OC[6])(CCHO)(CHHO)(H)	O(CC[6a]O)(CCHH)	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:2:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-3:C-4:	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	O(CC[6a]O)(CCHH)	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	O(CC[6a]O)(CCHH)	107.3915	2.251	2	107.3915	5.066	2	107.3915	5.066	2	107.3915	5.066	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:3:3:4:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:C-4:	B-3:C-4:	C(CC[6a]2C)(OB)(H)2	C(C[6a]C[6a]2)2(CC[6a]C)(CHHO)	O(BC[6a]C)(CCHH)	C(CC[6a]2C)(OB)(H)2	C(C[6a]C[6a]2)2(CC[6a]C)(CHHO)	O(BC[6a]C)(CCHH)	113.6980	0.000	1	113.6980	0.000	1	113.6980	0.000	1	113.6980	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:3:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-3:C-4:	C(CC[5a]C[6a]H)(OC)(H)2	C(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(CHHO)(H)	O(CC[6a]O)(CCHH)	C(CC[5a]C[6a]H)(OC)(H)2	C(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(CHHO)(H)	O(CC[6a]O)(CCHH)	113.1885	0.218	2	113.1885	0.048	2	113.1885	0.048	2	109.8145	11.970	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:3:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-3:C-4:	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	O(CC[6a]O)(CCHH)	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	O(CC[6a]O)(CCHH)	112.2160	0.000	1	112.2160	0.000	1	111.6240	0.701	2	109.8145	11.970	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:3:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-3:C-4:	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(NC[6a]S)(CHHO)(H)	O(CC[6a]C)(CCHH)	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(NC[6a]S)(CHHO)(H)	O(CC[6a]C)(CCHH)	111.0320	0.000	1	111.0320	0.000	1	111.6240	0.701	2	109.8145	11.970	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:3:4:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-3:C-4:	C(CC[6a]N[5]H)(OC)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	O(CC[6a]O)(CCHH)	C(CC[6a]N[5]H)(OC)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	O(CC[6a]O)(CCHH)	107.8665	4.989	2	107.8665	24.887	2	107.3063	13.385	3	109.8145	11.970	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:3:4:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-3:C-4:	C(CC[6a]N[5]H)(OC)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	O(CC[6a]O)(CCHH)	C(CC[6a]N[5]H)(OC)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	O(CC[6a]O)(CCHH)	106.1860	0.000	1	106.1860	0.000	1	107.3063	13.385	3	109.8145	11.970	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:3:4:1:	3:4:	C-4:O-2:H-1:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	C-3:C-4:	C(CC[6a]N[6]H)(OC)(H)2	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	O(CC[6a]O)(CCHH)	C(CC[6a]N[6]H)(OC)(H)2	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	O(CC[6a]O)(CCHH)	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	109.8145	11.970	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:3:4:1:	4:3:	C-4:O-2:H-1:H-1:	C[6a]-3:N[4]-3:C-4:H-1:	C-4:C-3:	C(CC[6a]N[4]H)(OC)(H)2	C(C[6a]C[6a]2)(N[4]C[4]2)(CHHO)(H)	O(CCHH)(CCO)	C(CC[6a]N[4]H)(OC)(H)2	C(C[6a]C[6a]2)(N[4]C[4]2)(CHHO)(H)	O(CCHH)(CCO)	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:3:4:4:	4:3:	C-4:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-3:	C(CC[5a]2C)(OC)(H)2	C(C[5a]C[5a]N[5a])2(CHHO)(CH3)	O(CCHH)(CCO)	C(CC[5a]2C)(OC)(H)2	C(C[5a]C[5a]N[5a])2(CHHO)(CH3)	O(CCHH)(CCO)	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:F-1:F-1:	N[5a]-3:C-4:F-1:F-1:	C[6a]-3:C-4:	C(CN[5a]FF)(OC[6a])(F)2	C(N[5a]C[5a]N[5a])(CFFO)(F)2	O(C[6a]C[6a]2)(CCFF)	C(CN[5a]FF)(OC[6a])(F)2	C(N[5a]C[5a]N[5a])(CFFO)(F)2	O(C[6a]C[6a]2)(CCFF)	109.5500	1.314	2	109.5500	1.726	2	109.5500	1.726	2	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CC[4]H)(CHHO)(H)2	O(CN[4]O)(CCHH)	C(CCHH)(OC)(H)2	C(CC[4]H)(CHHO)(H)2	O(CN[4]O)(CCHH)	113.6150	0.000	1	113.6150	0.000	1	112.0420	4.949	2	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CC[6]C)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CC[6]C)(CHHO)(H)2	O(CC[6a]O)(CCHH)	110.4690	0.000	1	110.4690	0.000	1	112.0420	4.949	2	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[5a]HH)(OC[6a])(H)2	C(C[5a]C[5a]S[5a])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[5a]HH)(OC[6a])(H)2	C(C[5a]C[5a]S[5a])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	O(CC[6a]O)(CCHH)	107.4590	8.354	2	107.4590	69.785	2	107.4590	69.785	2	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:	C(CC[6]HH)(OC[6])(H)2	C(C[6]C[6]2)(CHHO)(H)2	O(C[6]N[6]2)(CCHH)	C(CC[6]HH)(OC[6])(H)2	C(C[6]C[6]2)(CHHO)(H)2	O(C[6]N[6]2)(CCHH)	112.2650	0.000	1	112.2650	0.000	1	112.2650	0.000	1	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6]HH)(OC[6a])(H)2	C(C[6]C[6,6]C[6])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6]HH)(OC[6a])(H)2	C(C[6]C[6,6]C[6])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	111.3560	0.000	1	111.3560	0.000	1	109.5915	6.227	2	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6]HH)(OC[6a])(H)2	C(C[6]C[6]2)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6]HH)(OC[6a])(H)2	C(C[6]C[6]2)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.8270	0.000	1	107.8270	0.000	1	109.5915	6.227	2	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CC[6]O)(CCHH)	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CC[6]O)(CCHH)	106.8315	0.889	2	106.8315	0.790	2	106.8315	0.790	2	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	110.6020	0.000	1	110.6020	0.000	1	109.2593	4.921	18	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	111.0930	1.669	6	111.0930	2.784	6	109.2593	4.921	18	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.9953	1.237	3	107.9953	1.530	3	109.2593	4.921	18	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	106.1545	1.165	2	106.1545	1.356	2	109.2593	4.921	18	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(C[6a]N[6a]2)(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(C[6a]N[6a]2)(CCHH)	109.5240	1.532	2	109.5240	2.346	2	109.2593	4.921	18	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]N[6a])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]N[6a])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.9430	1.366	2	107.9430	1.866	2	109.2593	4.921	18	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]N[6a])(CHHO)(H)2	O(C[6a]N[6a]2)(CCHH)	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]N[6a])(CHHO)(H)2	O(C[6a]N[6a]2)(CCHH)	109.1390	3.379	2	109.1390	11.415	2	109.2593	4.921	18	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-3:C-4:	C(CHHN)(OC)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CC[5]O)(CCHH)	C(CHHN)(OC)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CC[5]O)(CCHH)	108.6005	0.467	2	108.6005	0.218	2	108.4918	3.471	9	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-3:C-4:	C(CHHN)(OC)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CC[5a]O)(CCHH)	C(CHHN)(OC)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CC[5a]O)(CCHH)	108.8560	2.447	2	108.8560	5.986	2	108.4918	3.471	9	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-3:C-4:	C(CHHN)(OC)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CC[6]O)(CCHH)	C(CHHN)(OC)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CC[6]O)(CCHH)	109.2677	2.620	3	109.2677	6.867	3	108.4918	3.471	9	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-3:C-4:	C(CHHN)(OC)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CHHN)(OC)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CC[6a]O)(CCHH)	107.2910	0.000	1	107.2910	0.000	1	108.4918	3.471	9	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-3:C-4:	C(CHHN)(OC)(H)2	C(NC[6a]S)(CHHO)(H)2	O(CC[5a]O)(CCHH)	C(CHHN)(OC)(H)2	C(NC[6a]S)(CHHO)(H)2	O(CC[5a]O)(CCHH)	106.4190	0.000	1	106.4190	0.000	1	108.4918	3.471	9	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	O(CC[6]O)(CCHH)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	O(CC[6]O)(CCHH)	108.8430	0.000	1	108.8430	0.000	1	109.7288	6.213	12	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	O(CC[6a]O)(CCHH)	108.0360	0.000	1	108.0360	0.000	1	109.7288	6.213	12	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	O(CC[6a]C)(CCHH)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	O(CC[6a]C)(CCHH)	112.7823	0.546	3	112.7823	0.298	3	109.7288	6.213	12	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	O(CC[6a]O)(CCHH)	111.3580	0.000	1	111.3580	0.000	1	109.7288	6.213	12	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CC[6]O)(CCHH)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CC[6]O)(CCHH)	107.0930	0.000	1	107.0930	0.000	1	109.7288	6.213	12	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CC[6a]O)(CCHH)	108.6138	2.253	5	108.6138	5.077	5	109.7288	6.213	12	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	107.1463	2.368	4	107.1463	5.609	4	107.6720	2.538	44	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	108.4410	2.342	6	108.4410	5.487	6	107.6720	2.538	44	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	106.2860	0.000	1	106.2860	0.000	1	107.6720	2.538	44	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.8463	1.386	22	107.8463	1.920	22	107.6720	2.538	44	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	107.6713	1.378	6	107.6713	1.898	6	107.6720	2.538	44	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	106.6808	0.853	5	106.6808	0.727	5	107.6720	2.538	44	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(CC[6a]O)(CCHH)	107.9476	1.204	16	107.9476	1.449	16	107.9476	1.449	16	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6]-3:C-4:	C(CN[5a]HH)(OC[6])(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	O(C[6]C[6]2)(CCHH)	C(CN[5a]HH)(OC[6])(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	O(C[6]C[6]2)(CCHH)	107.7280	0.000	1	107.7280	0.000	1	107.7280	0.000	1	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[5a]HH)(OC[6a])(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]HH)(OC[6a])(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.5480	0.000	1	107.5480	0.000	1	107.3469	0.745	20	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[5a]HH)(OC[6a])(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]HH)(OC[6a])(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.3125	0.309	2	107.3125	0.095	2	107.3469	0.745	20	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[5a]HH)(OC[6a])(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CN[5a]HH)(OC[6a])(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	107.3060	0.956	16	107.3060	0.914	16	107.3469	0.745	20	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[5a]HH)(OC[6a])(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	O(C[6a]N[6a]2)(CCHH)	C(CN[5a]HH)(OC[6a])(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	O(C[6a]N[6a]2)(CCHH)	107.8690	0.000	1	107.8690	0.000	1	107.3469	0.745	20	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	B-3:C-4:	C(CN[6]HH)(OB)(H)2	C(N[6]B[6]C[6])(CHHO)(H)2	O(BC[6a]O)(CCHH)	C(CN[6]HH)(OB)(H)2	C(N[6]B[6]C[6])(CHHO)(H)2	O(BC[6a]O)(CCHH)	116.7320	0.000	1	116.7320	0.000	1	116.7320	0.000	1	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(CC[6]O)(CCHH)	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(CC[6]O)(CCHH)	110.9550	0.000	1	110.9550	0.000	1	109.4265	4.673	2	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(CC[6a]O)(CCHH)	107.8980	0.000	1	107.8980	0.000	1	109.4265	4.673	2	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:	C(CN[6]HH)(OC[6])(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(C[6]C[6]2)(CCHH)	C(CN[6]HH)(OC[6])(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(C[6]C[6]2)(CCHH)	106.8680	2.341	3	106.8680	5.478	3	106.8680	5.478	3	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[6]HH)(OC[6a])(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	108.5139	2.190	36	108.5139	4.796	36	108.5139	4.796	36	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(CC[6]O)(CCHH)	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(CC[6]O)(CCHH)	109.9300	1.067	4	109.9300	1.139	4	109.9300	1.139	4	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[6a]HH)(OC[6a])(H)2	C(N[6a]C[6a,6a]2)(CHHO)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	C(CN[6a]HH)(OC[6a])(H)2	C(N[6a]C[6a,6a]2)(CHHO)(H)2	O(C[6a]C[6a,6a]2)(CCHH)	105.8385	0.477	2	105.8385	0.228	2	106.1358	0.202	4	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[6a]HH)(OC[6a])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CN[6a]HH)(OC[6a])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	106.3200	0.000	1	106.3200	0.000	1	106.1358	0.202	4	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[6a]HH)(OC[6a])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(CN[6a]HH)(OC[6a])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	106.5460	0.000	1	106.5460	0.000	1	106.1358	0.202	4	108.3339	4.654	182	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CC[6a]C)(CHHO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CC[6a]C)(CHHO)(H)2	O(CCHH)(CCO)	108.9175	0.820	2	108.9175	0.672	2	108.2630	1.621	3	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CC[6a]C)(CHHO)(H)2	O(CCHH)(COO)	C(CCHH)(OC)(H)2	C(CC[6a]C)(CHHO)(H)2	O(CCHH)(COO)	106.9540	0.000	1	106.9540	0.000	1	108.2630	1.621	3	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2)(CHHO)(H)2	O(CCHH)(CHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2)(CHHO)(H)2	O(CCHH)(CHO)	107.5010	0.000	1	107.5010	0.000	1	107.4140	0.015	2	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]S[5])(CHHO)(H)2	O(CCHH)(CCO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]S[5])(CHHO)(H)2	O(CCHH)(CCO)	107.3270	0.000	1	107.3270	0.000	1	107.4140	0.015	2	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[5a]HH)(OC)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(H)2	O(CCHH)(CCO)	C(CC[5a]HH)(OC)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(H)2	O(CCHH)(CCO)	106.0440	0.000	1	106.0440	0.000	1	106.0440	0.000	1	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CCHH)(CCO)	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CCHH)(CCO)	107.2660	1.407	3	107.2660	1.981	3	107.2700	1.321	4	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CCHH)(CSS)	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CCHH)(CSS)	107.2820	0.000	1	107.2820	0.000	1	107.2700	1.321	4	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(NC[5a]C)(CHHO)(H)2	O(CCHH)(CCO)	C(CHHN)(OC)(H)2	C(NC[5a]C)(CHHO)(H)2	O(CCHH)(CCO)	107.5490	0.000	1	107.5490	0.000	1	108.9801	5.413	12	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CCHH)(CCO)	C(CHHN)(OC)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CCHH)(CCO)	109.7117	1.949	7	109.7117	3.798	7	108.9801	5.413	12	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(NC[6a]H)(CHHO)(H)2	O(CCHH)(CCO)	C(CHHN)(OC)(H)2	C(NC[6a]H)(CHHO)(H)2	O(CCHH)(CCO)	105.1330	0.000	1	105.1330	0.000	1	108.9801	5.413	12	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(NC[6a]H)(CHHO)(H)2	O(CCHH)(COO)	C(CHHN)(OC)(H)2	C(NC[6a]H)(CHHO)(H)2	O(CCHH)(COO)	109.0323	2.842	3	109.0323	8.077	3	108.9801	5.413	12	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)(CCO)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)(CCO)	107.1812	2.262	6	107.1812	5.119	6	107.0433	3.502	9	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)(CNS)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)(CNS)	107.9440	0.000	1	107.9440	0.000	1	107.0433	3.502	9	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)(CSS)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)(CSS)	106.1795	0.062	2	106.1795	0.004	2	107.0433	3.502	9	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(CCHH)(CNO)	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(CCHH)(CNO)	111.5800	0.000	1	111.5800	0.000	1	111.5800	0.000	1	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(CCHH)(CCO)	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(CCHH)(CCO)	108.6100	0.000	1	108.6100	0.000	1	108.6100	0.000	1	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	O(CCHH)(CCO)	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	O(CCHH)(CCO)	109.2980	0.000	1	109.2980	0.000	1	108.3160	1.929	2	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(CCHH)(CHO)	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(CCHH)(CHO)	107.3340	0.000	1	107.3340	0.000	1	108.3160	1.929	2	108.0775	4.015	35	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C-3:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(OC)(H)2	C(CC[5]H)(CHHO)(OC)(H)	O(CC[6a]O)(CCHH)	C(CCHO)(OC)(H)2	C(CC[5]H)(CHHO)(OC)(H)	O(CC[6a]O)(CCHH)	107.6340	0.000	1	107.6340	0.000	1	108.4600	1.365	2	109.8935	7.986	15	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C-3:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(OC)(H)2	C(CC[5]H)(CHHO)(OSi)(H)	O(CC[6a]O)(CCHH)	C(CCHO)(OC)(H)2	C(CC[5]H)(CHHO)(OSi)(H)	O(CC[6a]O)(CCHH)	109.2860	0.000	1	109.2860	0.000	1	108.4600	1.365	2	109.8935	7.986	15	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-3:C-4:	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(OC)(H)	O(CC[6a]C)(CCHH)	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(OC)(H)	O(CC[6a]C)(CCHH)	113.7195	0.415	2	113.7195	0.172	2	110.2056	7.814	7	109.8935	7.986	15	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-3:C-4:	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(OC)(H)	O(CC[6a]O)(CCHH)	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(OC)(H)	O(CC[6a]O)(CCHH)	108.2810	1.500	4	108.2810	2.250	4	110.2056	7.814	7	109.8935	7.986	15	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-3:C-4:	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(ON)(H)	O(CC[6a]O)(CCHH)	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(ON)(H)	O(CC[6a]O)(CCHH)	110.8760	0.000	1	110.8760	0.000	1	110.2056	7.814	7	109.8935	7.986	15	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:	C(CC[6a]HO)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(OC)(H)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HO)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(OC)(H)	O(C[6a]C[6a]2)(CCHH)	113.0770	0.642	3	113.0770	0.412	3	110.4332	13.312	5	109.8935	7.986	15	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:	C(CC[6a]HO)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(OTi)(H)	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HO)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(OTi)(H)	O(C[6a]C[6a]2)(CCHH)	106.4675	0.026	2	106.4675	0.001	2	110.4332	13.312	5	109.8935	7.986	15	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-3:C-4:	C(CC[6a]HS)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(SC)(H)	O(CC[6a]O)(CCHH)	C(CC[6a]HS)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(SC)(H)	O(CC[6a]O)(CCHH)	107.8780	0.000	1	107.8780	0.000	1	107.8780	0.000	1	109.8935	7.986	15	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:2:1:	4:3:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(ON)(H)	O(CCHH)(CCO)	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(ON)(H)	O(CCHH)(CCO)	105.6970	0.000	1	105.6970	0.000	1	105.6970	0.000	1	105.6970	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:2:2:	3:4:	C-4:O-2:H-1:H-1:	C-3:C-4:N-2:N-2:	C-3:C-4:	C(CCNN)(OC)(H)2	C(CC[6a]O)(CHHO)(NN)2	O(CC[6a]O)(CCHH)	C(CCNN)(OC)(H)2	C(CC[6a]O)(CHHO)(NN)2	O(CC[6a]O)(CCHH)	105.4080	0.000	1	105.4080	0.000	1	105.4080	0.000	1	105.4080	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:3:1:	3:4:	C-4:O-2:H-1:H-1:	C-3:C-4:N-3:H-1:	C-3:C-4:	C(CCHN)(OC)(H)2	C(CN[5]O)(CHHO)(NCH)(H)	O(CC[5]O)(CCHH)	C(CCHN)(OC)(H)2	C(CN[5]O)(CHHO)(NCH)(H)	O(CC[5]O)(CCHH)	108.7660	0.000	1	108.7660	0.000	1	108.7660	0.000	1	109.7997	0.324	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:3:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	B-3:C-4:	C(CC[6a]HN)(OB)(H)2	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	O(BC[6a]O)(CCHH)	C(CC[6a]HN)(OB)(H)2	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	O(BC[6a]O)(CCHH)	110.2480	0.000	1	110.2480	0.000	1	110.2480	0.000	1	109.7997	0.324	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:3:1:	3:4:	C-4:O-2:H-1:H-1:	N-3:C-4:C-3:H-1:	C-3:C-4:	C(CCHN)(OC)(H)2	C(NC[6a]H)(CHHO)(CCH)(H)	O(CC[6a]O)(CCHH)	C(CCHN)(OC)(H)2	C(NC[6a]H)(CHHO)(CCH)(H)	O(CC[6a]O)(CCHH)	109.9460	0.298	4	109.9460	0.089	4	109.9460	0.089	4	109.7997	0.324	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NPdC)(H)	O(CCHH)(CCO)	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NPdC)(H)	O(CCHH)(CCO)	106.3210	0.000	1	106.3210	0.000	1	106.3210	0.000	1	106.3210	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:3:2:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-3:C-4:	C(CC[6a]CO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(COO)(OH)	O(CC[6a]O)(CCHH)	C(CC[6a]CO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(COO)(OH)	O(CC[6a]O)(CCHH)	106.3540	0.079	2	106.3540	0.006	2	106.3540	0.006	2	106.3540	0.006	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:3:3:	3:4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-3:C-3:	C-3:C-4:	C(CC[5a]CC)(OC)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(CCO)(COO)	O(CC[5]O)(CCHH)	C(CC[5a]CC)(OC)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(CCO)(COO)	O(CC[5]O)(CCHH)	107.0630	0.000	1	107.0630	0.000	1	107.0630	0.000	1	107.0630	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-3:C-4:	C(CC[5a]CH)(OC)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	O(CC[6a]O)(CCHH)	C(CC[5a]CH)(OC)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	O(CC[6a]O)(CCHH)	110.1395	0.378	2	110.1395	0.143	2	109.5090	1.264	3	110.2030	7.898	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-3:C-4:	C(CC[5a]CH)(OC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	C(CC[5a]CH)(OC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	108.2480	0.000	1	108.2480	0.000	1	109.5090	1.264	3	110.2030	7.898	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[3]-4:C-4:H-1:	C-3:C-4:	C(CC[6a]C[3]H)(OC)(H)2	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHO)(H)	O(CC[6a]O)(CCHH)	C(CC[6a]C[3]H)(OC)(H)2	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHO)(H)	O(CC[6a]O)(CCHH)	111.2725	0.725	4	111.2725	0.526	4	111.2725	0.526	4	110.2030	7.898	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-3:C-4:	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	O(CC[3]O)(CCHH)	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	O(CC[3]O)(CCHH)	114.1370	0.000	1	114.1370	0.000	1	114.1370	0.000	1	110.2030	7.898	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C-4:	C(CN[5]CH)(OC[5])(H)2	C(N[5]C[5]S[5])(CHHO)2(H)	O(C[5]C[5,6a]N[5])(CCHH)	C(CN[5]CH)(OC[5])(H)2	C(N[5]C[5]S[5])(CHHO)2(H)	O(C[5]C[5,6a]N[5])(CCHH)	104.0730	0.000	1	104.0730	0.000	1	104.0730	0.000	1	110.2030	7.898	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(OC)(H)2	C(CC[6]O)(CHHO)(CH3)(H)	O(CCHH)(CCO)	C(CCCH)(OC)(H)2	C(CC[6]O)(CHHO)(CH3)(H)	O(CCHH)(CCO)	108.8230	0.000	1	108.8230	0.000	1	108.8230	0.000	1	109.9402	5.592	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:	C(CC[5a]CH)(OC)(H)2	C(C[5a]C[5a]S[5a])(CHHO)(CH3)(H)	O(CCHH)(CNO)	C(CC[5a]CH)(OC)(H)2	C(C[5a]C[5a]S[5a])(CHHO)(CH3)(H)	O(CCHH)(CNO)	107.0130	0.000	1	107.0130	0.000	1	107.0130	0.000	1	109.9402	5.592	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	O(CCHH)(CCO)	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	O(CCHH)(CCO)	112.8840	0.000	1	112.8840	0.000	1	112.2965	0.690	2	109.9402	5.592	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	O(CCHH)(CCO)	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	O(CCHH)(CCO)	111.7090	0.000	1	111.7090	0.000	1	112.2965	0.690	2	109.9402	5.592	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:C-3:	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]2)(CCHO)(CHHO)(H)	O(CCHH)(CCO)	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]2)(CCHO)(CHHO)(H)	O(CCHH)(CCO)	107.8560	0.000	1	107.8560	0.000	1	109.6060	6.125	2	109.9402	5.592	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:C-3:	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	O(CCHH)(CCO)	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	O(CCHH)(CCO)	111.3560	0.000	1	111.3560	0.000	1	109.6060	6.125	2	109.9402	5.592	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:2:	4:2:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-2:	C(CC[6a]CO)(ON)(H)2	C(C[6a]C[6a]2)(CHHO)(CF3)(OH)	O(CCHH)(NC)	C(CC[6a]CO)(ON)(H)2	C(C[6a]C[6a]2)(CHHO)(CF3)(OH)	O(CCHH)(NC)	114.5720	0.000	1	114.5720	0.000	1	114.5720	0.000	1	114.5720	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:2:	4:3:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:	C(CC[6a]CO)(OC)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	O(CCHH)(CHH)	C(CC[6a]CO)(OC)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	O(CCHH)(CHH)	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:3:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-3:C-4:	C(CC[6a]CC)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CF3)(CCH)	O(CC[6a]O)(CCHH)	C(CC[6a]CC)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CF3)(CCH)	O(CC[6a]O)(CCHH)	109.3880	0.000	1	109.3880	0.000	1	109.2807	0.011	3	109.2807	0.011	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:3:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-3:C-4:	C(CC[6a]CC)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(CCH)	O(CC[6a]O)(CCHH)	C(CC[6a]CC)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(CCH)	O(CC[6a]O)(CCHH)	109.2270	0.069	2	109.2270	0.005	2	109.2807	0.011	3	109.2807	0.011	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:4:	3:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-3:C-4:	C(CN[5]CC)(OC)(H)2	C(N[5]C[5]2)(CHHO)(CH3)2	O(CC[6a]O)(CCHH)	C(CN[5]CC)(OC)(H)2	C(N[5]C[5]2)(CHHO)(CH3)2	O(CC[6a]O)(CCHH)	109.6340	0.359	2	109.6340	0.129	2	109.6340	0.129	2	109.6340	0.129	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	3:4:4:4:	4:3:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:C-3:	C(CN[5]CC)(OC)(H)2	C(N[5]C[5]2)(CHHO)(CH3)2	O(CCHH)(CCO)	C(CN[5]CC)(OC)(H)2	C(N[5]C[5]2)(CHHO)(CH3)2	O(CCHH)(CCO)	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-3:C-4:	C(CBrHH)(OC)(H)2	C(CHHO)(Br)(H)2	O(CC[6a]O)(CCHH)	C(CBrHH)(OC)(H)2	C(CHHO)(Br)(H)2	O(CC[6a]O)(CCHH)	112.3640	0.000	1	112.3640	0.000	1	112.3640	0.000	1	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-3:C-4:	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	O(CC[5]O)(CCHH)	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	O(CC[5]O)(CCHH)	107.7680	0.000	1	107.7680	0.000	1	108.0751	1.578	8	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-3:C-4:	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	O(CN[5]O)(CCHH)	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	O(CN[5]O)(CCHH)	108.5743	1.836	3	108.5743	3.369	3	108.0751	1.578	8	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-3:C-4:	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	O(CN[5a]O)(CCHH)	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	O(CN[5a]O)(CCHH)	107.1890	0.000	1	107.1890	0.000	1	108.0751	1.578	8	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-3:C-4:	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	O(CN[6]O)(CCHH)	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	O(CN[6]O)(CCHH)	107.9737	1.150	3	107.9737	1.324	3	108.0751	1.578	8	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-3:C-4:	C(CClHH)(OC)(H)2	C(CHHO)(Cl)(H)2	O(CC[6a]O)(CCHH)	C(CClHH)(OC)(H)2	C(CHHO)(Cl)(H)2	O(CC[6a]O)(CCHH)	107.1582	0.408	4	107.1582	0.166	4	107.1582	0.166	4	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-3:C-4:	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CC[3]O)(CCHH)	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CC[3]O)(CCHH)	106.1600	0.000	1	106.1600	0.000	1	106.5866	1.259	7	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-3:C-4:	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CC[5]O)(CCHH)	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CC[5]O)(CCHH)	106.5350	1.516	3	106.5350	2.299	3	106.5866	1.259	7	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-3:C-4:	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CC[6]O)(CCHH)	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CC[6]O)(CCHH)	106.5930	0.000	1	106.5930	0.000	1	106.5866	1.259	7	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-3:C-4:	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CC[6a]O)(CCHH)	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CC[6a]O)(CCHH)	106.8740	1.612	2	106.8740	2.599	2	106.5866	1.259	7	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:H-1:	C-3:C-4:	C(CFFH)(OC)(H)2	C(CHHO)(F)2(H)	O(CC[5a]O)(CCHH)	C(CFFH)(OC)(H)2	C(CHHO)(F)2(H)	O(CC[5a]O)(CCHH)	105.9100	0.000	1	105.9100	0.000	1	106.9125	2.292	4	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:H-1:	C-3:C-4:	C(CFFH)(OC)(H)2	C(CHHO)(F)2(H)	O(CC[6a]O)(CCHH)	C(CFFH)(OC)(H)2	C(CHHO)(F)2(H)	O(CC[6a]O)(CCHH)	107.2467	1.664	3	107.2467	2.768	3	106.9125	2.292	4	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:	C(CH3)(OB)(H)2	C(CHHO)(H)3	O(BC[6a]2)(CCHH)	C(CH3)(OB)(H)2	C(CHHO)(H)3	O(BC[6a]2)(CCHH)	107.7510	0.000	1	107.7510	0.000	1	107.7870	0.003	2	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:	C(CH3)(OB)(H)2	C(CHHO)(H)3	O(BN[6]Os)(CCHH)	C(CH3)(OB)(H)2	C(CHHO)(H)3	O(BN[6]Os)(CCHH)	107.8230	0.000	1	107.8230	0.000	1	107.7870	0.003	2	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[3,3,5]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[3,3,5]O)(CCHH)	107.5840	0.000	1	107.5840	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[3,4,5,6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[3,4,5,6]O)(CCHH)	111.0815	2.436	2	111.0815	5.934	2	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[3,5]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[3,5]O)(CCHH)	108.8391	1.522	15	108.8391	2.315	15	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[3,6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[3,6]O)(CCHH)	108.3794	1.189	5	108.3794	1.413	5	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[3]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[3]O)(CCHH)	108.6557	1.799	94	108.6557	3.236	94	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[3x5,6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[3x5,6]O)(CCHH)	108.3860	0.000	1	108.3860	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[3x6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[3x6]O)(CCHH)	108.1530	0.000	1	108.1530	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4,5,6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4,5,6]O)(CCHH)	109.3860	0.066	2	109.3860	0.004	2	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4,5]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4,5]O)(CCHH)	110.0877	0.557	3	110.0877	0.310	3	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4,6,6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4,6,6]O)(CCHH)	108.4070	1.613	10	108.4070	2.601	10	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4,6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4,6]O)(CCHH)	108.5592	1.377	5	108.5592	1.895	5	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4]Cr)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4]Cr)(CCHH)	106.2840	0.000	1	106.2840	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4]O)(CCHH)	108.9375	2.198	19	108.9375	4.831	19	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4]Se)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4]Se)(CCHH)	112.3310	0.000	1	112.3310	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5,5,6,6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5,5,6,6]O)(CCHH)	107.9930	0.260	2	107.9930	0.068	2	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5,5,6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5,5,6]O)(CCHH)	109.5444	1.493	17	109.5444	2.228	17	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5,5]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5,5]O)(CCHH)	108.6842	1.768	57	108.6842	3.125	57	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5,6,6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5,6,6]O)(CCHH)	108.4750	0.000	1	108.4750	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5,6]C)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5,6]C)(CCHH)	107.0650	0.000	1	107.0650	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5,6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5,6]O)(CCHH)	109.2062	2.208	74	109.2062	4.875	74	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]Cr)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]Cr)(CCHH)	107.5590	1.049	3	107.5590	1.101	3	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]N)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]N)(CCHH)	106.2080	0.000	1	106.2080	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]O)(CCHH)	108.7420	2.158	815	108.7420	4.656	815	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]Re)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]Re)(CCHH)	107.9502	2.500	6	107.9502	6.248	6	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]Rh)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]Rh)(CCHH)	108.3410	1.252	2	108.3410	1.566	2	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]W)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]W)(CCHH)	107.3720	0.000	1	107.3720	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5a]Cr)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5a]Cr)(CCHH)	106.9477	0.580	15	106.9477	0.337	15	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5a]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5a]O)(CCHH)	107.9485	1.932	627	107.9485	3.733	627	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5a]Pt)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5a]Pt)(CCHH)	107.5350	1.681	2	107.5350	2.827	2	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5a]Re)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5a]Re)(CCHH)	106.6020	1.548	8	106.6020	2.395	8	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5a]W)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5a]W)(CCHH)	106.8615	2.348	13	106.8615	5.512	13	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5x3,5x5,20x6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5x3,5x5,20x6]O)(CCHH)	107.3910	0.000	1	107.3910	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6,6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6,6]O)(CCHH)	109.1335	1.913	44	109.1335	3.659	44	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]Cr)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]Cr)(CCHH)	109.3360	0.000	1	109.3360	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]H)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]H)(CCHH)	109.7650	0.000	1	109.7650	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]O)(CCHH)	108.5193	2.082	889	108.5193	4.335	889	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]Se)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]Se)(CCHH)	106.0090	0.000	1	106.0090	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]Cr)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]Cr)(CCHH)	106.3710	0.000	1	106.3710	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]Ir)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]Ir)(CCHH)	107.1380	0.000	1	107.1380	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]N)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]N)(CCHH)	107.9078	0.504	6	107.9078	0.254	6	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]O)(CCHH)	108.1826	1.805	690	108.1826	3.259	690	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]Re)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]Re)(CCHH)	108.7400	0.000	1	108.7400	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]W)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]W)(CCHH)	107.4180	1.088	3	107.4180	1.184	3	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[4]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[4]O)(CCHH)	108.9780	2.383	2	108.9780	5.678	2	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[5,6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[5,6]O)(CCHH)	108.0780	1.499	2	108.0780	2.247	2	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[5]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[5]O)(CCHH)	108.3697	1.894	44	108.3697	3.586	44	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[5a]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[5a]O)(CCHH)	108.5522	1.945	22	108.5522	3.782	22	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[6]C)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[6]C)(CCHH)	106.9190	0.000	1	106.9190	0.000	1	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[6]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[6]O)(CCHH)	108.5861	1.849	32	108.5861	3.419	32	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[6a]O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[6a]O)(CCHH)	109.2870	1.513	2	109.2870	2.290	2	108.4181	4.070	3549	108.4114	4.063	3575	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:2:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)(ON)(H)2	C(CHHO)(H)3	O(CCHH)(NC)	C(CH3)(ON)(H)2	C(CHHO)(H)3	O(CCHH)(NC)	110.0193	3.125	3	110.0193	9.764	3	109.1076	7.725	5	109.1076	7.725	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:2:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)(ON)(H)2	C(CHHO)(H)3	O(CCHH)(NRe)	C(CH3)(ON)(H)2	C(CHHO)(H)3	O(CCHH)(NRe)	107.7400	2.267	2	107.7400	5.139	2	109.1076	7.725	5	109.1076	7.725	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:C-3:	C(CBrHH)(OC)(H)2	C(CHHO)(Br)(H)2	O(CCHH)(CCO)	C(CBrHH)(OC)(H)2	C(CHHO)(Br)(H)2	O(CCHH)(CCO)	107.6271	1.777	11	107.6271	3.159	11	107.6271	3.159	11	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:C-3:	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	O(CCHH)(CCO)	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	O(CCHH)(CCO)	109.1070	2.043	4	109.1070	4.174	4	108.8152	1.813	14	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:C-3:	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	O(CCHH)(CNO)	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	O(CCHH)(CNO)	108.7874	1.210	8	108.7874	1.465	8	108.8152	1.813	14	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:C-3:	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	O(CCHH)(COO)	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	O(CCHH)(COO)	108.3430	0.081	2	108.3430	0.006	2	108.8152	1.813	14	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-3:	C(CClHH)(OC)(H)2	C(CHHO)(Cl)(H)2	O(CCHH)(CCO)	C(CClHH)(OC)(H)2	C(CHHO)(Cl)(H)2	O(CCHH)(CCO)	107.4825	2.262	4	107.4825	5.117	4	108.1220	5.883	5	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-3:	C(CClHH)(OC)(H)2	C(CHHO)(Cl)(H)2	O(CCHH)(CHO)	C(CClHH)(OC)(H)2	C(CHHO)(Cl)(H)2	O(CCHH)(CHO)	110.6800	0.000	1	110.6800	0.000	1	108.1220	5.883	5	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:C-3:	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CCHH)(CCO)	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CCHH)(CCO)	108.1609	1.251	12	108.1609	1.565	12	108.0299	1.368	15	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:C-3:	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CCHH)(CNO)	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CCHH)(CNO)	107.5057	0.673	3	107.5057	0.452	3	108.0299	1.368	15	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:C-3:	C(CFHH)(OC)(H)2	C(CHHO)(F)(H)2	O(CCHH)(CCO)	C(CFHH)(OC)(H)2	C(CHHO)(F)(H)2	O(CCHH)(CCO)	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCC)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCC)	108.1470	3.334	20	108.1470	11.117	20	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCH)	110.5109	3.156	8	110.5109	9.962	8	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCN)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCN)	107.1489	1.576	25	107.1489	2.483	25	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCO)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCO)	108.5432	2.355	2291	108.5432	5.546	2291	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCW)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCW)	107.8595	1.503	2	107.8595	2.258	2	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CHH)	114.3037	15.650	10	114.3037	244.908	10	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CHN)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CHN)	108.3120	2.093	5	108.3120	4.382	5	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CIrC)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CIrC)	107.0713	1.058	3	107.0713	1.119	3	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CIrH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CIrH)	110.1270	0.578	2	110.1270	0.335	2	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CMnC)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CMnC)	107.7460	0.000	1	107.7460	0.000	1	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CNN)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CNN)	107.5054	2.013	14	107.5054	4.052	14	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CNO)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CNO)	108.2084	1.993	161	108.2084	3.971	161	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CNS)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CNS)	106.2661	0.554	19	106.2661	0.307	19	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(COO)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(COO)	109.0674	2.606	25	109.0674	6.790	25	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(COS)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(COS)	108.8965	0.716	2	108.8965	0.513	2	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(COsC)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(COsC)	114.0500	0.000	1	114.0500	0.000	1	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(COsO)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(COsO)	106.2840	0.000	1	106.2840	0.000	1	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CPdC)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CPdC)	106.7005	0.315	2	106.7005	0.099	2	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CReC)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CReC)	107.4000	1.288	2	107.4000	1.660	2	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CRuC)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CRuC)	108.6150	0.000	1	108.6150	0.000	1	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CRuO)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CRuO)	106.5545	0.432	2	106.5545	0.187	2	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CSS)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CSS)	108.0971	2.404	13	108.0971	5.779	13	108.5109	6.445	2610	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:C-3:	C(CHHI)(OC)(H)2	C(CHHO)(H)2(I)	O(CCHH)(CCO)	C(CHHI)(OC)(H)2	C(CHHO)(H)2(I)	O(CCHH)(CCO)	110.8640	1.691	2	110.8640	2.861	2	110.8640	2.861	2	108.5087	6.382	2658	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-3:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NN)(H)2	O(CC[6a]O)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NN)(H)2	O(CC[6a]O)(CCHH)	108.1089	0.670	7	108.1089	0.449	7	108.1089	0.449	7	108.4287	5.355	68	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[5,6]O)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[5,6]O)(CCHH)	109.9000	0.000	1	109.9000	0.000	1	108.1670	5.181	50	108.4287	5.355	68	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[5]O)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[5]O)(CCHH)	110.3275	2.207	2	110.3275	4.870	2	108.1670	5.181	50	108.4287	5.355	68	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[5a]O)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[5a]O)(CCHH)	109.7370	0.000	1	109.7370	0.000	1	108.1670	5.181	50	108.4287	5.355	68	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6]O)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6]O)(CCHH)	109.2055	2.815	16	109.2055	7.924	16	108.1670	5.181	50	108.4287	5.355	68	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6a]C)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6a]C)(CCHH)	108.9150	2.047	3	108.9150	4.189	3	108.1670	5.181	50	108.4287	5.355	68	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6a]O)(CCHH)	107.4929	1.820	16	107.4929	3.313	16	108.1670	5.181	50	108.4287	5.355	68	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6a]S)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6a]S)(CCHH)	104.6600	0.000	1	104.6600	0.000	1	108.1670	5.181	50	108.4287	5.355	68	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CN[5a]O)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CN[5a]O)(CCHH)	108.3310	0.000	1	108.3310	0.000	1	108.1670	5.181	50	108.4287	5.355	68	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CC[5]O)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CC[5]O)(CCHH)	106.4490	0.000	1	106.4490	0.000	1	108.1670	5.181	50	108.4287	5.355	68	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CC[5a]O)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CC[5a]O)(CCHH)	106.0840	0.000	1	106.0840	0.000	1	108.1670	5.181	50	108.4287	5.355	68	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CC[6a]O)(CCHH)	106.9449	0.406	7	106.9449	0.165	7	108.1670	5.181	50	108.4287	5.355	68	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-3:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SC)(H)2	O(CC[6a]O)(CCHH)	C(CHHS)(OC)(H)2	C(CHHO)(SC)(H)2	O(CC[6a]O)(CCHH)	108.9694	2.893	5	108.9694	8.368	5	109.8218	7.671	11	108.4287	5.355	68	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-3:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SS)(H)2	O(CC[6a]O)(CCHH)	C(CHHS)(OC)(H)2	C(CHHO)(SS)(H)2	O(CC[6a]O)(CCHH)	110.5322	2.705	6	110.5322	7.316	6	109.8218	7.671	11	108.4287	5.355	68	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:2:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:N-2:	C(CHHO)(ON)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(NC)	C(CHHO)(ON)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(NC)	111.6055	0.409	2	111.6055	0.168	2	111.3893	5.281	26	111.3893	5.281	26	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:2:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:N-2:	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(NC)	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(NC)	111.3713	2.393	24	111.3713	5.728	24	111.3893	5.281	26	111.3893	5.281	26	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHO)(CH)(H)2	O(CCHH)(CHH)	C(CCHH)(OC)(H)2	C(CHHO)(CH)(H)2	O(CCHH)(CHH)	117.0880	0.000	1	117.0880	0.000	1	117.0880	0.000	1	108.9552	3.473	51	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CCC)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CCC)	109.1066	0.846	21	109.1066	0.715	21	108.7926	2.167	50	108.9552	3.473	51	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CCH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CCH)	110.4523	1.475	7	110.4523	2.176	7	108.7926	2.167	50	108.9552	3.473	51	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CCN)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CCN)	106.2740	0.000	1	106.2740	0.000	1	108.7926	2.167	50	108.9552	3.473	51	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CCO)	108.1429	0.986	9	108.1429	0.972	9	108.7926	2.167	50	108.9552	3.473	51	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CHO)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CHO)	107.5630	0.000	1	107.5630	0.000	1	108.7926	2.167	50	108.9552	3.473	51	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CNO)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CNO)	107.3310	1.429	7	107.3310	2.041	7	108.7926	2.167	50	108.9552	3.473	51	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CCHH)(CCC)	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CCHH)(CCC)	108.1960	0.000	1	108.1960	0.000	1	108.7926	2.167	50	108.9552	3.473	51	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CCHH)(CCO)	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CCHH)(CCO)	107.1510	0.000	1	107.1510	0.000	1	108.7926	2.167	50	108.9552	3.473	51	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CHHO)(OC)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(CCO)	C(CHHO)(OC)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(CCO)	110.7180	0.611	2	110.7180	0.373	2	108.7926	2.167	50	108.9552	3.473	51	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:2:2:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:H-1:	C-3:C-4:	C(CHOO)(OC)(H)2	C(CHHO)(OC)2(H)	O(CC[6a]O)(CCHH)	C(CHOO)(OC)(H)2	C(CHHO)(OC)2(H)	O(CC[6a]O)(CCHH)	105.0210	0.000	1	105.0210	0.000	1	105.0210	0.000	1	105.0210	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-3:F-1:H-1:	C-3:C-4:	C(CCFH)(OC)(H)2	C(CHHO)(CCH)(F)(H)	O(CC[6a]O)(CCHH)	C(CCFH)(OC)(H)2	C(CHHO)(CCH)(F)(H)	O(CC[6a]O)(CCHH)	108.2076	2.749	5	108.2076	7.558	5	108.2076	7.558	5	107.6093	4.605	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CCH)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)(CCH)(H)2	O(CC[6a]O)(CCHH)	106.8130	0.000	1	106.8130	0.000	1	106.8130	0.000	1	107.6093	4.605	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CC[4]O)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CC[4]O)(CCHH)	112.1000	0.000	1	112.1000	0.000	1	107.3710	4.379	15	107.6093	4.605	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CC[5a]O)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CC[5a]O)(CCHH)	110.8350	0.000	1	110.8350	0.000	1	107.3710	4.379	15	107.6093	4.605	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CC[6a]O)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CC[6a]O)(CCHH)	106.4668	1.889	4	106.4668	3.570	4	107.3710	4.379	15	107.6093	4.605	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCH)(H)2	O(CC[6a]O)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NCH)(H)2	O(CC[6a]O)(CCHH)	106.8626	1.153	9	106.8626	1.329	9	107.3710	4.379	15	107.6093	4.605	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	Ge-3:C-4:	C(CHHN)(OGe)(H)2	C(CHHO)(NCC)(H)2	O(GePdO)(CCHH)	C(CHHN)(OGe)(H)2	C(CHHO)(NCC)(H)2	O(GePdO)(CCHH)	108.9880	0.000	1	108.9880	0.000	1	108.9880	0.000	1	107.6093	4.605	22	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHO)(CCC)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CHHO)(CCC)(H)2	O(CCHH)(CCO)	107.9545	1.650	2	107.9545	2.721	2	106.7289	32.539	14	107.8922	16.913	33	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHO)(CCC)(H)2	O(CCHH)(CNO)	C(CCHH)(OC)(H)2	C(CHHO)(CCC)(H)2	O(CCHH)(CNO)	107.2910	0.000	1	107.2910	0.000	1	106.7289	32.539	14	107.8922	16.913	33	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHO)(CCH)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CHHO)(CCH)(H)2	O(CCHH)(CCO)	108.8935	1.585	2	108.8935	2.511	2	106.7289	32.539	14	107.8922	16.913	33	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHO)(CHH)(H)2	O(CCHH)(CHH)	C(CCHH)(OC)(H)2	C(CHHO)(CHH)(H)2	O(CCHH)(CHH)	105.7438	7.531	8	105.7438	56.718	8	106.7289	32.539	14	107.8922	16.913	33	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHO)(COO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CHHO)(COO)(H)2	O(CCHH)(CCO)	107.2670	0.000	1	107.2670	0.000	1	106.7289	32.539	14	107.8922	16.913	33	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CCHH)(CCO)	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CCHH)(CCO)	108.7093	2.666	6	108.7093	7.108	6	108.7495	4.739	19	107.8922	16.913	33	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CCHH)(CCW)	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CCHH)(CCW)	111.1620	0.000	1	111.1620	0.000	1	108.7495	4.739	19	107.8922	16.913	33	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CCHH)(CNO)	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CCHH)(CNO)	106.6860	2.485	2	106.6860	6.174	2	108.7495	4.739	19	107.8922	16.913	33	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(CHHO)(NCH)(H)2	O(CCHH)(CCO)	C(CHHN)(OC)(H)2	C(CHHO)(NCH)(H)2	O(CCHH)(CCO)	109.1473	1.804	6	109.1473	3.256	6	108.7495	4.739	19	107.8922	16.913	33	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(CHHO)(NCS)(H)2	O(CCHH)(CCO)	C(CHHN)(OC)(H)2	C(CHHO)(NCS)(H)2	O(CCHH)(CCO)	107.9805	3.044	2	107.9805	9.267	2	108.7495	4.739	19	107.8922	16.913	33	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(CHHO)(NHS)(H)2	O(CCHH)(CCO)	C(CHHN)(OC)(H)2	C(CHHO)(NHS)(H)2	O(CCHH)(CCO)	108.6110	0.000	1	108.6110	0.000	1	108.7495	4.739	19	107.8922	16.913	33	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(CHHO)(NPdC)(H)2	O(CCHH)(CCO)	C(CHHN)(OC)(H)2	C(CHHO)(NPdC)(H)2	O(CCHH)(CCO)	109.9940	0.000	1	109.9940	0.000	1	108.7495	4.739	19	107.8922	16.913	33	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:2:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-3:C-2:H-1:	C-3:C-4:	C(CCCH)(OC)(H)2	C(CHHO)(CCH)(CC)(H)	O(CC[6a]O)(CCHH)	C(CCCH)(OC)(H)2	C(CHHO)(CCH)(CC)(H)	O(CC[6a]O)(CCHH)	109.4305	3.736	2	109.4305	13.955	2	109.4305	13.955	2	109.0143	7.497	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:2:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C(CCHO)(OC)(H)2	C(CHHO)(CCH)(OC)(H)	O(CC[6a]O)(CCHH)	C(CCHO)(OC)(H)2	C(CHHO)(CCH)(OC)(H)	O(CC[6a]O)(CCHH)	108.1820	0.000	1	108.1820	0.000	1	108.1820	0.000	1	109.0143	7.497	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:3:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:N-3:N-3:F-1:	C-3:C-4:	C(CFNN)(OC)(H)2	C(CHHO)(NOO)2(F)	O(CC[6a]O)(CCHH)	C(CFNN)(OC)(H)2	C(CHHO)(NOO)2(F)	O(CC[6a]O)(CCHH)	108.7460	0.000	1	108.7460	0.000	1	108.7460	0.000	1	108.7460	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:	C(CCHN)(OC)(H)2	C(CHHO)(COO)(NCH)(H)	O(CCHH)(CCO)	C(CCHN)(OC)(H)2	C(CHHO)(COO)(NCH)(H)	O(CCHH)(CCO)	107.8165	2.122	2	107.8165	4.503	2	107.8165	4.503	2	106.0985	5.797	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-3:N-3:F-1:	C-4:C-3:	C(CFNN)(OC)(H)2	C(CHHO)(NOO)2(F)	O(CCHH)(CCO)	C(CFNN)(OC)(H)2	C(CHHO)(NOO)2(F)	O(CCHH)(CCO)	105.1160	0.000	1	105.1160	0.000	1	104.3805	1.082	2	106.0985	5.797	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-3:N-3:F-1:	C-4:C-3:	C(CFNN)(OC)(H)2	C(CHHO)(NOO)2(F)	O(CCHH)(CNO)	C(CFNN)(OC)(H)2	C(CHHO)(NOO)2(F)	O(CCHH)(CNO)	103.6450	0.000	1	103.6450	0.000	1	104.3805	1.082	2	106.0985	5.797	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:3:3:	3:4:	C-4:O-2:H-1:H-1:	C-4:N-3:N-3:N-3:	C-3:C-4:	C(CN3)(OC)(H)2	C(CHHO)(NOO)3	O(CC[6a]O)(CCHH)	C(CN3)(OC)(H)2	C(CHHO)(NOO)3	O(CC[6a]O)(CCHH)	106.2293	0.720	4	106.2293	0.518	4	106.2293	0.518	4	106.2293	0.518	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:3:3:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:C-3:	C(CN3)(OC)(H)2	C(CHHO)(NOO)3	O(CCHH)(CCO)	C(CN3)(OC)(H)2	C(CHHO)(NOO)3	O(CCHH)(CCO)	106.1090	0.000	1	106.1090	0.000	1	107.1897	1.048	6	107.1897	1.048	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:3:3:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:C-3:	C(CN3)(OC)(H)2	C(CHHO)(NOO)3	O(CCHH)(CNO)	C(CN3)(OC)(H)2	C(CHHO)(NOO)3	O(CCHH)(CNO)	107.8257	0.387	3	107.8257	0.150	3	107.1897	1.048	6	107.1897	1.048	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:3:3:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:C-3:	C(CN3)(OC)(H)2	C(CHHO)(NOO)3	O(CCHH)(COO)	C(CN3)(OC)(H)2	C(CHHO)(NOO)3	O(CCHH)(COO)	106.7760	1.489	2	106.7760	2.218	2	107.1897	1.048	6	107.1897	1.048	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:3:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[5]-4:B[5]-3:C-4:H-1:	C-3:C-4:	C(CB[5]C[5]H)(OC)(H)2	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	O(CC[6a]O)(CCHH)	C(CB[5]C[5]H)(OC)(H)2	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	O(CC[6a]O)(CCHH)	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	2:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	N-2:C-4:	C(CCHH)(ON)(H)2	C(CCHH)(CHHO)(H)2	O(NC[5])(CCHH)	C(CCHH)(ON)(H)2	C(CCHH)(CHHO)(H)2	O(NC[5])(CCHH)	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-3:C-4:	C(CBrCH)(OC)(H)2	C(CBrCH)(CHHO)(Br)(H)	O(CC[5]O)(CCHH)	C(CBrCH)(OC)(H)2	C(CBrCH)(CHHO)(Br)(H)	O(CC[5]O)(CCHH)	105.2390	0.000	1	105.2390	0.000	1	108.8690	11.093	3	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-3:C-4:	C(CBrCH)(OC)(H)2	C(CBrCH)(CHHO)(Br)(H)	O(CC[6a]O)(CCHH)	C(CBrCH)(OC)(H)2	C(CBrCH)(CHHO)(Br)(H)	O(CC[6a]O)(CCHH)	109.5840	0.000	1	109.5840	0.000	1	108.8690	11.093	3	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-3:C-4:	C(CBrCH)(OC)(H)2	C(CCHO)(CHHO)(Br)(H)	O(CC[6a]O)(CCHH)	C(CBrCH)(OC)(H)2	C(CCHO)(CHHO)(Br)(H)	O(CC[6a]O)(CCHH)	111.7840	0.000	1	111.7840	0.000	1	108.8690	11.093	3	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-3:C-4:	C(CClCH)(OC)(H)2	C(CC[6a]ClH)(CHHO)(Cl)(H)	O(CC[6a]O)(CCHH)	C(CClCH)(OC)(H)2	C(CC[6a]ClH)(CHHO)(Cl)(H)	O(CC[6a]O)(CCHH)	108.4110	0.250	2	108.4110	0.063	2	108.6394	0.929	7	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-3:C-4:	C(CClCH)(OC)(H)2	C(CClCH)(CHHO)(Cl)(H)	O(CC[5]O)(CCHH)	C(CClCH)(OC)(H)2	C(CClCH)(CHHO)(Cl)(H)	O(CC[5]O)(CCHH)	108.7220	2.223	2	108.7220	4.942	2	108.6394	0.929	7	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-3:C-4:	C(CClCH)(OC)(H)2	C(CClCH)(CHHO)(Cl)(H)	O(CC[6a]O)(CCHH)	C(CClCH)(OC)(H)2	C(CClCH)(CHHO)(Cl)(H)	O(CC[6a]O)(CCHH)	108.7805	0.640	2	108.7805	0.410	2	108.6394	0.929	7	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-3:C-4:	C(CClCH)(OC)(H)2	C(CClHH)(CHHO)(Cl)(H)	O(CC[6a]O)(CCHH)	C(CClCH)(OC)(H)2	C(CClHH)(CHHO)(Cl)(H)	O(CC[6a]O)(CCHH)	108.6490	0.000	1	108.6490	0.000	1	108.6394	0.929	7	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CB[5]CH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CB[5]CH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	110.0035	1.794	2	110.0035	3.218	2	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CCCH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CCCH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	106.5340	0.093	2	106.5340	0.009	2	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[3]O)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[3]O)(CCHH)	108.0119	1.314	9	108.0119	1.728	9	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[4]O)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[4]O)(CCHH)	109.9130	0.000	1	109.9130	0.000	1	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[5]O)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[5]O)(CCHH)	106.1160	0.000	1	106.1160	0.000	1	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[5a]N)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[5a]N)(CCHH)	113.3933	0.290	3	113.3933	0.084	3	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[5a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[5a]O)(CCHH)	107.9185	1.380	4	107.9185	1.903	4	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[6]O)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[6]O)(CCHH)	109.5298	2.238	5	109.5298	5.010	5	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[6a]N)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[6a]N)(CCHH)	112.7630	0.000	1	112.7630	0.000	1	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	108.2819	1.857	64	108.2819	3.449	64	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CN[5a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CN[5a]O)(CCHH)	107.1230	0.000	1	107.1230	0.000	1	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CCHN)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CCHN)(CHHO)(H)2	O(CC[6a]O)(CCHH)	107.5310	0.395	2	107.5310	0.156	2	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	O(CC[6a]O)(CCHH)	108.5133	1.024	3	108.5133	1.048	3	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CC[5,6]HH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CC[5,6]HH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	106.5680	0.000	1	106.5680	0.000	1	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CC[5]O)(CCHH)	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CC[5]O)(CCHH)	111.3280	0.000	1	111.3280	0.000	1	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	110.8450	7.334	2	110.8450	53.789	2	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CC[5a]HH)(CHHO)(H)2	O(CN[5a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CC[5a]HH)(CHHO)(H)2	O(CN[5a]O)(CCHH)	108.8042	2.590	5	108.8042	6.708	5	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	107.5445	1.183	2	107.5445	1.399	2	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CC[6a]CH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CC[6a]CH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	106.5427	1.012	14	106.5427	1.025	14	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CC[6a]CO)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CC[6a]CO)(CHHO)(H)2	O(CC[6a]O)(CCHH)	109.3825	0.357	2	109.3825	0.128	2	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	111.9120	0.000	1	111.9120	0.000	1	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CC[6a]HO)(CHHO)(H)2	O(CC[6a]C)(CCHH)	C(CCHH)(OC)(H)2	C(CC[6a]HO)(CHHO)(H)2	O(CC[6a]C)(CCHH)	110.8340	0.000	1	110.8340	0.000	1	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CC[6a]HO)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CC[6a]HO)(CHHO)(H)2	O(CC[6a]O)(CCHH)	105.5790	0.000	1	105.5790	0.000	1	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	O(CC[6a]C)(CCHH)	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	O(CC[6a]C)(CCHH)	110.9060	0.020	2	110.9060	0.000	2	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	O(CC[6a]O)(CCHH)	106.4680	0.000	1	106.4680	0.000	1	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CC3)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)(CC3)(H)2	O(CC[6a]O)(CCHH)	113.4470	0.000	1	113.4470	0.000	1	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CC[6]O)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CC[6]O)(CCHH)	107.2385	0.678	2	107.2385	0.460	2	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CC[6a]O)(CCHH)	108.8419	2.460	21	108.8419	6.050	21	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CN[5a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CN[5a]O)(CCHH)	111.6390	0.000	1	111.6390	0.000	1	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CN[6]O)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CN[6]O)(CCHH)	110.6462	1.729	4	110.6462	2.990	4	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	O(CC[5]O)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	O(CC[5]O)(CCHH)	109.3290	1.995	2	109.3290	3.982	2	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	O(CC[6]O)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	O(CC[6]O)(CCHH)	108.5355	2.787	2	108.5355	7.766	2	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	O(CC[6a]C)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	O(CC[6a]C)(CCHH)	107.3590	0.047	2	107.3590	0.002	2	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	O(CC[6a]O)(CCHH)	109.0041	1.455	8	109.0041	2.117	8	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CN[5]HH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CN[5]HH)(CHHO)(H)2	O(CC[6a]O)(CCHH)	107.6910	0.000	1	107.6910	0.000	1	108.5423	4.752	175	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:O-1:	C-3:C-4:	C(CCHO)(OC)(H)2	C(CHHO)2(H)(O)	O(CC[6a]O)(CCHH)	C(CCHO)(OC)(H)2	C(CHHO)2(H)(O)	O(CC[6a]O)(CCHH)	105.3870	0.000	1	105.3870	0.000	1	105.3870	0.000	1	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CC[6a]O)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CC[6a]O)(CCHH)	109.3252	3.641	5	109.3252	13.257	5	109.3252	13.257	5	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-3:C-4:	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	O(CC[5,6]O)(CCHH)	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	O(CC[5,6]O)(CCHH)	112.6410	0.000	1	112.6410	0.000	1	110.0468	3.832	5	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-3:C-4:	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	O(CC[6]O)(CCHH)	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	O(CC[6]O)(CCHH)	108.8315	2.299	2	108.8315	5.285	2	110.0468	3.832	5	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-3:C-4:	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	O(CC[6a]O)(CCHH)	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	O(CC[6a]O)(CCHH)	109.9650	0.588	2	109.9650	0.346	2	110.0468	3.832	5	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C[6]-3:C-4:	C(CSiHH)(OC[6])(H)2	C(CHHO)(SiC3)(H)2	O(C[6]C[6]2)(CCHH)	C(CSiHH)(OC[6])(H)2	C(CHHO)(SiC3)(H)2	O(C[6]C[6]2)(CCHH)	107.7775	0.349	2	107.7775	0.122	2	107.7775	0.122	2	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[3]HH)(OC)(H)2	C(C[3]C[3]2H)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CC[3]HH)(OC)(H)2	C(C[3]C[3]2H)(CHHO)(H)2	O(CC[6a]O)(CCHH)	110.2764	2.008	5	110.2764	4.031	5	110.2764	4.031	5	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[5,6]HH)(OC)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CC[5,6]HH)(OC)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(H)2	O(CC[6a]O)(CCHH)	106.2880	0.000	1	106.2880	0.000	1	106.6055	0.202	2	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[5,6]HH)(OC)(H)2	C(C[5,6]C[5,6]2H)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CC[5,6]HH)(OC)(H)2	C(C[5,6]C[5,6]2H)(CHHO)(H)2	O(CC[6a]O)(CCHH)	106.9230	0.000	1	106.9230	0.000	1	106.6055	0.202	2	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,5,6]C[5]H)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,5,6]C[5]H)(CHHO)(H)2	O(CC[6a]O)(CCHH)	107.2370	0.000	1	107.2370	0.000	1	108.1110	1.528	2	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]N[5,6]C[6a]C[5])(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CC[5]HH)(OC)(H)2	C(C[5]N[5,6]C[6a]C[5])(CHHO)(H)2	O(CC[6a]O)(CCHH)	108.9850	0.000	1	108.9850	0.000	1	108.1110	1.528	2	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[5,6]C[6a]C[6])(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CC[6]HH)(OC)(H)2	C(C[6]C[5,6]C[6a]C[6])(CHHO)(H)2	O(CC[6a]O)(CCHH)	109.5080	0.000	1	109.5080	0.000	1	109.1669	7.790	10	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	O(CC[6a]O)(CCHH)	106.1540	0.000	1	106.1540	0.000	1	109.1669	7.790	10	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6a]C[6]H)(CHHO)(H)2	O(CC[5,5,6]O)(CCHH)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6a]C[6]H)(CHHO)(H)2	O(CC[5,5,6]O)(CCHH)	108.6440	0.000	1	108.6440	0.000	1	109.1669	7.790	10	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	O(CC[6a]O)(CCHH)	107.9327	3.020	4	107.9327	9.122	4	109.1669	7.790	10	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2O)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2O)(CHHO)(H)2	O(CC[6a]O)(CCHH)	113.7300	0.000	1	113.7300	0.000	1	109.1669	7.790	10	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]O[6]C)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]O[6]C)(CHHO)(H)2	O(CC[6a]O)(CCHH)	110.9510	0.000	2	110.9510	0.000	2	109.1669	7.790	10	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6]HH)(OC[6a])(H)2	C(C[6]C[6]N[6]H)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6]HH)(OC[6a])(H)2	C(C[6]C[6]N[6]H)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	114.6900	0.000	1	114.6900	0.000	1	114.6900	0.000	1	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]2C)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]2C)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	104.7070	0.000	1	104.7070	0.000	1	104.7070	0.000	1	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[6]HH)(OC[6a])(H)2	C(N[6]C[6]2H)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C(N[6]C[6]2H)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	109.3335	0.134	2	109.3335	0.018	2	107.7517	7.516	3	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[6]HH)(OC[6a])(H)2	C(N[6]C[6]2O)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CN[6]HH)(OC[6a])(H)2	C(N[6]C[6]2O)(CHHO)(H)2	O(C[6a]C[6a]2)(CCHH)	104.5880	0.000	1	104.5880	0.000	1	107.7517	7.516	3	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-3:C-4:	C(CHHP)(OC)(H)2	C(PC[6a]2Ru)(CHHO)(H)2	O(CC[5]O)(CCHH)	C(CHHP)(OC)(H)2	C(PC[6a]2Ru)(CHHO)(H)2	O(CC[5]O)(CCHH)	110.9459	0.546	7	110.9459	0.298	7	110.9459	0.298	7	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:H-1:	C-3:C-4:	C(CHHS)(OC)(H)2	C(SC[6]OO)(CHHO)(H)2	O(CC[6]O)(CCHH)	C(CHHS)(OC)(H)2	C(SC[6]OO)(CHHO)(H)2	O(CC[6]O)(CCHH)	107.5090	0.000	1	107.5090	0.000	1	107.5090	0.000	1	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-3:C-4:	C(CSiHH)(OC)(H)2	C(SiC[6a]CC)(CHHO)(H)2	O(CC[6a]O)(CCHH)	C(CSiHH)(OC)(H)2	C(SiC[6a]CC)(CHHO)(H)2	O(CC[6a]O)(CCHH)	112.5787	0.964	3	112.5787	0.929	3	112.5787	0.929	3	108.7416	5.250	233	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:2:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CCHH)(ON)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(NC)	C(CCHH)(ON)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(NC)	109.2106	2.568	16	109.2106	6.595	16	109.0631	6.624	24	109.0631	6.624	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:2:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CCHH)(ON)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(NC)	C(CCHH)(ON)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(NC)	106.6355	0.148	2	106.6355	0.022	2	109.0631	6.624	24	109.0631	6.624	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:2:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CCHH)(ON)(H)2	C(CHHO)2(H)2	O(CCHH)(NC)	C(CCHH)(ON)(H)2	C(CHHO)2(H)2	O(CCHH)(NC)	109.4788	2.837	6	109.4788	8.047	6	109.0631	6.624	24	109.0631	6.624	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-3:	C(CBrCH)(OC)(H)2	C(CC[6a]CH)(CHHO)(Br)(H)	O(CCHH)(CNO)	C(CBrCH)(OC)(H)2	C(CC[6a]CH)(CHHO)(Br)(H)	O(CCHH)(CNO)	108.7075	0.549	2	108.7075	0.302	2	108.7075	0.302	2	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-3:	C(CClCH)(OC)(H)2	C(CCHO)(CHHO)(Cl)(H)	O(CCHH)(CNO)	C(CClCH)(OC)(H)2	C(CCHO)(CHHO)(Cl)(H)	O(CCHH)(CNO)	108.0663	1.336	3	108.0663	1.785	3	108.0663	1.785	3	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:C-3:	C(CCFF)(OC)(H)2	C(CCFF)(CHHO)(F)2	O(CCHH)(CNO)	C(CCFF)(OC)(H)2	C(CCFF)(CHHO)(F)2	O(CCHH)(CNO)	105.0150	0.485	2	105.0150	0.235	2	105.0150	0.235	2	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CBrHH)(CHHO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CBrHH)(CHHO)(H)2	O(CCHH)(CCO)	107.0310	0.000	1	107.0310	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CCCH)(CHHO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CCCH)(CHHO)(H)2	O(CCHH)(CCO)	107.9060	0.600	3	107.9060	0.360	3	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CCC)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CCC)	108.0353	1.153	4	108.0353	1.329	4	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CCN)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CCN)	110.2943	3.385	3	110.2943	11.459	3	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CCO)	108.8452	1.944	78	108.8452	3.778	78	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CIrH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CIrH)	107.6450	0.000	1	107.6450	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CNO)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CNO)	108.1280	2.079	11	108.1280	4.324	11	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CReC)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CReC)	108.8340	0.000	1	108.8340	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CSS)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CSS)	105.7035	0.367	2	105.7035	0.135	2	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CCHI)(CHHO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CCHI)(CHHO)(H)2	O(CCHH)(CCO)	109.6650	1.920	3	109.6650	3.688	3	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	O(CCHH)(CCO)	107.6140	0.193	4	107.6140	0.037	4	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CCHH)(CCO)	108.6260	0.000	1	108.6260	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CCHH)(CNO)	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CCHH)(CNO)	111.0790	0.000	1	111.0790	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CC[5a]HH)(CHHO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CC[5a]HH)(CHHO)(H)2	O(CCHH)(CCO)	106.1360	0.830	2	106.1360	0.689	2	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	O(CCHH)(CCO)	108.8560	0.000	1	108.8560	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	O(CCHH)(CNO)	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	O(CCHH)(CNO)	109.9400	0.000	1	109.9400	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CC[6a]2C)(CHHO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CC[6a]2C)(CHHO)(H)2	O(CCHH)(CCO)	111.2460	0.000	1	111.2460	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CC[6a]CH)(CHHO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CC[6a]CH)(CHHO)(H)2	O(CCHH)(CCO)	107.5340	0.000	1	107.5340	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(CCHH)(CCO)	111.3980	0.000	1	111.3980	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CC[6a]HO)(CHHO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CC[6a]HO)(CHHO)(H)2	O(CCHH)(CCO)	108.2230	0.000	1	108.2230	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	O(CCHH)(CCC)	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	O(CCHH)(CCC)	110.9470	0.000	1	110.9470	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	O(CCHH)(CCO)	111.8980	0.000	1	111.8980	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CCC)	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CCC)	111.4170	4.157	3	111.4170	17.277	3	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CCN)	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CCN)	107.4880	0.000	1	107.4880	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CCO)	108.1881	1.438	17	108.1881	2.069	17	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CNS)	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CNS)	106.6775	0.489	2	106.6775	0.239	2	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CPdO)	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CPdO)	109.3500	0.000	1	109.3500	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CSS)	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CSS)	107.3440	0.882	2	107.3440	0.779	2	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHO)(CHHS)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CHHO)(CHHS)(H)2	O(CCHH)(CCO)	107.8450	0.000	1	107.8450	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	O(CCHH)(CCO)	107.4966	0.645	8	107.4966	0.416	8	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(OC)(H)2	C(CN[5]HH)(CHHO)(H)2	O(CCHH)(CCO)	C(CCHH)(OC)(H)2	C(CN[5]HH)(CHHO)(H)2	O(CCHH)(CCO)	107.4230	0.000	1	107.4230	0.000	1	108.5914	3.740	159	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(CHHO)(NC3)(H)2	O(CCHH)(CCO)	C(CHHN)(OC)(H)2	C(CHHO)(NC3)(H)2	O(CCHH)(CCO)	110.9360	0.416	2	110.9360	0.173	2	110.4837	2.568	6	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(CHHO)(NC3)(H)2	O(CCHH)(COO)	C(CHHN)(OC)(H)2	C(CHHO)(NC3)(H)2	O(CCHH)(COO)	107.6730	0.000	1	107.6730	0.000	1	110.4837	2.568	6	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CCHH)(CCO)	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CCHH)(CCO)	110.6370	1.324	2	110.6370	1.752	2	110.4837	2.568	6	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(CHHO)(NH3)(H)2	O(CCHH)(CCO)	C(CHHN)(OC)(H)2	C(CHHO)(NH3)(H)2	O(CCHH)(CCO)	112.0830	0.000	1	112.0830	0.000	1	110.4837	2.568	6	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-3:	C(CHHP)(OC)(H)2	C(CHHO)(PC3)(H)2	O(CCHH)(CCO)	C(CHHP)(OC)(H)2	C(CHHO)(PC3)(H)2	O(CCHH)(CCO)	108.4335	0.397	2	108.4335	0.157	2	108.4335	0.157	2	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-3:	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	O(CCHH)(CCO)	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	O(CCHH)(CCO)	107.3735	2.119	2	107.3735	4.491	2	107.3735	4.491	2	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[3]HH)(OC)(H)2	C(C[3]C[6a]C[3]O[3])(CHHO)(H)2	O(CCHH)(CCO)	C(CC[3]HH)(OC)(H)2	C(C[3]C[6a]C[3]O[3])(CHHO)(H)2	O(CCHH)(CCO)	110.1090	0.219	2	110.1090	0.048	2	109.1597	2.728	3	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[3]HH)(OC)(H)2	C(C[3]C[6a]C[3]O[3])(CHHO)(H)2	O(CCHH)(COO)	C(CC[3]HH)(OC)(H)2	C(C[3]C[6a]C[3]O[3])(CHHO)(H)2	O(CCHH)(COO)	107.2610	0.000	1	107.2610	0.000	1	109.1597	2.728	3	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	O(CCHH)(CCO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	O(CCHH)(CCO)	110.2060	0.000	1	110.2060	0.000	1	108.1298	5.213	8	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(H)2	O(CCHH)(CNO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(H)2	O(CCHH)(CNO)	107.0944	2.283	5	107.0944	5.210	5	108.1298	5.213	8	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]O[5]C)(CHHO)(H)2	O(CCHH)(CCO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]O[5]C)(CHHO)(H)2	O(CCHH)(CCO)	108.9150	0.000	1	108.9150	0.000	1	108.1298	5.213	8	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	O(CCHH)(CCO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	O(CCHH)(CCO)	110.4450	0.000	1	110.4450	0.000	1	108.1298	5.213	8	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	O(CCHH)(CCO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	O(CCHH)(CCO)	107.1030	0.000	1	107.1030	0.000	1	106.9462	2.098	5	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	O(CCHH)(CCO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	O(CCHH)(CCO)	106.9070	1.670	4	106.9070	2.787	4	106.9462	2.098	5	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-3:	C(CHHN)(OC)(H)2	C(NPdCC)(CHHO)(H)2	O(CCHH)(CCH)	C(CHHN)(OC)(H)2	C(NPdCC)(CHHO)(H)2	O(CCHH)(CCH)	110.7090	0.000	1	110.7090	0.000	1	110.7090	0.000	1	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	C-4:C-3:	C(CN[3x6]HH)(OC)(H)2	C(N[3x6]C[6,6]3)(CHHO)(H)2	O(CCHH)(CCO)	C(CN[3x6]HH)(OC)(H)2	C(N[3x6]C[6,6]3)(CHHO)(H)2	O(CCHH)(CCO)	111.3930	0.000	1	111.3930	0.000	1	111.3930	0.000	1	108.5646	3.846	194	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OH)(H)	O(CC[6a]O)(CCHH)	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OH)(H)	O(CC[6a]O)(CCHH)	107.3650	0.000	1	107.3650	0.000	1	108.3146	3.078	19	108.0215	3.390	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(OC)(H)2	C(CCHH)(CHHO)(OC)(H)	O(CC[6a]O)(CCHH)	C(CCHO)(OC)(H)2	C(CCHH)(CHHO)(OC)(H)	O(CC[6a]O)(CCHH)	110.4885	0.534	2	110.4885	0.285	2	108.3146	3.078	19	108.0215	3.390	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]O)(CCHH)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]O)(CCHH)	108.4489	1.487	10	108.4489	2.212	10	108.3146	3.078	19	108.0215	3.390	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OH)(H)	O(CC[6a]O)(CCHH)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OH)(H)	O(CC[6a]O)(CCHH)	107.0490	0.272	2	107.0490	0.074	2	108.3146	3.078	19	108.0215	3.390	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(OC)(H)2	C(CC[6a]HH)(CHHO)(OC)(H)	O(CC[6a]O)(CCHH)	C(CCHO)(OC)(H)2	C(CC[6a]HH)(CHHO)(OC)(H)	O(CC[6a]O)(CCHH)	106.6700	0.000	1	106.6700	0.000	1	108.3146	3.078	19	108.0215	3.390	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(OC)(H)2	C(CClCH)(CHHO)(OH)(H)	O(CC[6a]O)(CCHH)	C(CCHO)(OC)(H)2	C(CClCH)(CHHO)(OH)(H)	O(CC[6a]O)(CCHH)	105.5650	0.000	1	105.5650	0.000	1	108.3146	3.078	19	108.0215	3.390	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(OC)(H)2	C(CHHO)(CH3)(OC)(H)	O(CC[5]O)(CCHH)	C(CCHO)(OC)(H)2	C(CHHO)(CH3)(OC)(H)	O(CC[5]O)(CCHH)	107.3160	0.000	1	107.3160	0.000	1	108.3146	3.078	19	108.0215	3.390	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(OC)(H)2	C(CHHO)(CH3)(OC)(H)	O(CC[6a]C)(CCHH)	C(CCHO)(OC)(H)2	C(CHHO)(CH3)(OC)(H)	O(CC[6a]C)(CCHH)	111.4980	0.000	1	111.4980	0.000	1	108.3146	3.078	19	108.0215	3.390	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-3:C-4:	C(CC[3]HO)(OC)(H)2	C(C[3]C[3]2H)(CHHO)(OH)(H)	O(CC[6a]O)(CCHH)	C(CC[3]HO)(OC)(H)2	C(C[3]C[3]2H)(CHHO)(OH)(H)	O(CC[6a]O)(CCHH)	107.5840	0.000	1	107.5840	0.000	1	107.5840	0.000	1	108.0215	3.390	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:N-2:H-1:	C-3:C-4:	C(CC[5]HN)(OC)(H)2	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	O(CC[6a]O)(CCHH)	C(CC[5]HN)(OC)(H)2	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	O(CC[6a]O)(CCHH)	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	108.0215	3.390	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-3:C-4:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(OC)(H)	O(CC[6a]O)(CCHH)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(OC)(H)	O(CC[6a]O)(CCHH)	105.5360	0.000	1	105.5360	0.000	1	105.7773	1.539	3	108.0215	3.390	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-3:C-4:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O(CC[6a]O)(CCHH)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O(CC[6a]O)(CCHH)	104.6750	0.000	1	104.6750	0.000	1	105.7773	1.539	3	108.0215	3.390	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	3:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-3:C-4:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O(CC[6a]O)(CCHH)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O(CC[6a]O)(CCHH)	107.1210	0.000	1	107.1210	0.000	1	105.7773	1.539	3	108.0215	3.390	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OC)(H)	O(CCHH)(CCO)	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OC)(H)	O(CCHH)(CCO)	107.5487	0.436	3	107.5487	0.190	3	108.9690	2.372	29	108.8366	2.250	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(OC)(H)2	C(CCCO)(CHHO)(OC)(H)	O(CCHH)(CCO)	C(CCHO)(OC)(H)2	C(CCCO)(CHHO)(OC)(H)	O(CCHH)(CCO)	106.4240	0.000	1	106.4240	0.000	1	108.9690	2.372	29	108.8366	2.250	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(OC)(H)2	C(CCFF)(CHHO)(OC)(H)	O(CCHH)(CCO)	C(CCHO)(OC)(H)2	C(CCFF)(CHHO)(OC)(H)	O(CCHH)(CCO)	110.1290	0.000	1	110.1290	0.000	1	108.9690	2.372	29	108.8366	2.250	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	O(CCHH)(CCO)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	O(CCHH)(CCO)	109.5183	1.234	15	109.5183	1.522	15	108.9690	2.372	29	108.8366	2.250	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OH)(H)	O(CCHH)(CCO)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OH)(H)	O(CCHH)(CCO)	107.2970	0.000	1	107.2970	0.000	1	108.9690	2.372	29	108.8366	2.250	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(OC)(H)2	C(CC[3]CH)(CHHO)(OC)(H)	O(CCHH)(CCO)	C(CCHO)(OC)(H)2	C(CC[3]CH)(CHHO)(OC)(H)	O(CCHH)(CCO)	108.8500	0.000	1	108.8500	0.000	1	108.9690	2.372	29	108.8366	2.250	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(OC)(H)2	C(CC[6]HO)(CHHO)(OC)(H)	O(CCHH)(CCO)	C(CCHO)(OC)(H)2	C(CC[6]HO)(CHHO)(OC)(H)	O(CCHH)(CCO)	108.8543	1.976	7	108.8543	3.903	7	108.9690	2.372	29	108.8366	2.250	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:3:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O(CCHH)(CCO)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O(CCHH)(CCO)	108.8760	1.141	7	108.8760	1.302	7	108.8760	1.302	7	108.8366	2.250	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:3:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	O(CCHH)(CCO)	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	O(CCHH)(CCO)	106.6340	0.000	1	106.6340	0.000	1	106.7780	0.041	2	108.8366	2.250	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:3:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O(CCHH)(CCO)	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O(CCHH)(CCO)	106.9220	0.000	1	106.9220	0.000	1	106.7780	0.041	2	108.8366	2.250	38	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-3:C-4:	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NCH)(H)	O(CC[5]O)(CCHH)	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NCH)(H)	O(CC[5]O)(CCHH)	109.2570	0.000	1	109.2570	0.000	1	107.9785	3.269	2	107.8608	7.034	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-3:C-4:	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCH)(H)	O(CC[6a]O)(CCHH)	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCH)(H)	O(CC[6a]O)(CCHH)	106.7000	0.000	1	106.7000	0.000	1	107.9785	3.269	2	107.8608	7.034	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	3:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-3:C-4:	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(CCH)(H)	O(CC[6a]O)(CCHH)	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(CCH)(H)	O(CC[6a]O)(CCHH)	105.9270	0.000	1	105.9270	0.000	1	105.9270	0.000	1	107.8608	7.034	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-3:C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(COO)(H)	O(CC[6a]O)(CCHH)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(COO)(H)	O(CC[6a]O)(CCHH)	111.8450	0.000	1	111.8450	0.000	1	111.8450	0.000	1	107.8608	7.034	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	3:4:	C-4:O-2:H-1:H-1:	Si-4:C-4:C-3:H-1:	C-3:C-4:	C(CSiCH)(OC)(H)2	C(SiC[6a]CC)(CHHO)(CCH)(H)	O(CC[6a]O)(CCHH)	C(CSiCH)(OC)(H)2	C(SiC[6a]CC)(CHHO)(CCH)(H)	O(CC[6a]O)(CCHH)	105.5750	0.000	1	105.5750	0.000	1	105.5750	0.000	1	107.8608	7.034	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CCH)(H)	O(CCHH)(CNO)	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CCH)(H)	O(CCHH)(CNO)	112.4570	0.997	2	112.4570	0.994	2	109.5597	4.425	7	108.8401	4.102	20	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(CCCH)(OC)(H)2	C(CC[3]HO)(CHHO)(CCO)(H)	O(CCHH)(CCO)	C(CCCH)(OC)(H)2	C(CC[3]HO)(CHHO)(CCO)(H)	O(CCHH)(CCO)	107.3870	0.000	1	107.3870	0.000	1	109.5597	4.425	7	108.8401	4.102	20	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(CCCH)(OC)(H)2	C(CHHO)(CH3)(CCC)(H)	O(CCHH)(CNO)	C(CCCH)(OC)(H)2	C(CHHO)(CH3)(CCC)(H)	O(CCHH)(CNO)	108.9210	0.000	1	108.9210	0.000	1	109.5597	4.425	7	108.8401	4.102	20	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(CCCH)(OC)(H)2	C(CHHO)(CH3)(CCH)(H)	O(CCHH)(CCO)	C(CCCH)(OC)(H)2	C(CHHO)(CH3)(CCH)(H)	O(CCHH)(CCO)	108.5653	0.581	3	108.5653	0.338	3	109.5597	4.425	7	108.8401	4.102	20	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NHS)(H)	O(CCHH)(CCH)	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NHS)(H)	O(CCHH)(CCH)	106.8730	0.000	1	106.8730	0.000	1	108.4527	3.818	13	108.8401	4.102	20	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NPdC)(H)	O(CCHH)(CCO)	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NPdC)(H)	O(CCHH)(CCO)	110.9550	0.525	2	110.9550	0.275	2	108.4527	3.818	13	108.8401	4.102	20	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCHN)(OC)(H)2	C(CCFF)(CHHO)(NCH)(H)	O(CCHH)(CCO)	C(CCHN)(OC)(H)2	C(CCFF)(CHHO)(NCH)(H)	O(CCHH)(CCO)	111.4440	0.000	1	111.4440	0.000	1	108.4527	3.818	13	108.8401	4.102	20	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCH)(H)	O(CCHH)(CNO)	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCH)(H)	O(CCHH)(CNO)	107.2630	0.000	1	107.2630	0.000	1	108.4527	3.818	13	108.8401	4.102	20	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCHN)(OC)(H)2	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	O(CCHH)(CCO)	C(CCHN)(OC)(H)2	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	O(CCHH)(CCO)	108.6990	2.160	2	108.6990	4.663	2	108.4527	3.818	13	108.8401	4.102	20	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCHN)(OC)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	O(CCHH)(CCO)	C(CCHN)(OC)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	O(CCHH)(CCO)	106.8810	0.000	1	106.8810	0.000	1	108.4527	3.818	13	108.8401	4.102	20	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCHN)(OC)(H)2	C(CHHO)(CH3)(NCC)(H)	O(CCHH)(CNS)	C(CCHN)(OC)(H)2	C(CHHO)(CH3)(NCC)(H)	O(CCHH)(CNS)	107.2370	0.000	1	107.2370	0.000	1	108.4527	3.818	13	108.8401	4.102	20	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCHN)(OC)(H)2	C(CHHO)(CH3)(NCH)(H)	O(CCHH)(CCO)	C(CCHN)(OC)(H)2	C(CHHO)(CH3)(NCH)(H)	O(CCHH)(CCO)	110.2690	0.000	1	110.2690	0.000	1	108.4527	3.818	13	108.8401	4.102	20	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCHN)(OC)(H)2	C(CHHO)(CH3)(NCH)(H)	O(CCHH)(CCS)	C(CCHN)(OC)(H)2	C(CHHO)(CH3)(NCH)(H)	O(CCHH)(CCS)	106.8480	0.782	2	106.8480	0.612	2	108.4527	3.818	13	108.8401	4.102	20	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCHN)(OC)(H)2	C(CHHO)(CH3)(NCH)(H)	O(CCHH)(CNS)	C(CCHN)(OC)(H)2	C(CHHO)(CH3)(NCH)(H)	O(CCHH)(CNS)	106.9140	0.000	1	106.9140	0.000	1	108.4527	3.818	13	108.8401	4.102	20	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:3:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:C-3:	C(CCCN)(OC)(H)2	C(CC[6]HH)(CHHO)(COO)(NCH)	O(CCHH)(CCO)	C(CCCN)(OC)(H)2	C(CC[6]HH)(CHHO)(COO)(NCH)	O(CCHH)(CCO)	107.2505	1.780	2	107.2505	3.168	2	107.2505	3.168	2	106.6909	7.624	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:3:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:N-3:	C-4:C-3:	C(CCNN)(OC)(H)2	C(CHHO)(CH3)(NOO)2	O(CCHH)(CNO)	C(CCNN)(OC)(H)2	C(CHHO)(CH3)(NOO)2	O(CCHH)(CNO)	104.1080	0.553	2	104.1080	0.306	2	106.5043	9.873	6	106.6909	7.624	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:3:3:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:N-3:	C-4:C-3:	C(CCNN)(OC)(H)2	C(CHHO)2(NOO)2	O(CCHH)(CNO)	C(CCNN)(OC)(H)2	C(CHHO)2(NOO)2	O(CCHH)(CNO)	107.7025	3.257	4	107.7025	10.611	4	106.5043	9.873	6	106.6909	7.624	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-3:C-4:	C(CClCC)(OC)(H)2	C(CBrCH)(CHHO)(CH3)(Cl)	O(CC[5]O)(CCHH)	C(CClCC)(OC)(H)2	C(CBrCH)(CHHO)(CH3)(Cl)	O(CC[5]O)(CCHH)	110.3690	0.000	1	110.3690	0.000	1	109.4290	0.864	3	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-3:C-4:	C(CClCC)(OC)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	O(CC[6a]O)(CCHH)	C(CClCC)(OC)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	O(CC[6a]O)(CCHH)	108.9590	0.635	2	108.9590	0.403	2	109.4290	0.864	3	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(OC)(H)2	C(CCHH)(CHHN)(CHHO)(H)	O(CC[6a]O)(CCHH)	C(CCCH)(OC)(H)2	C(CCHH)(CHHN)(CHHO)(H)	O(CC[6a]O)(CCHH)	108.2830	0.000	1	108.2830	0.000	1	108.7533	3.780	20	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	O(CC[6]O)(CCHH)	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	O(CC[6]O)(CCHH)	108.5405	1.292	2	108.5405	1.669	2	108.7533	3.780	20	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	107.9560	0.000	1	107.9560	0.000	1	108.7533	3.780	20	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(OC)(H)2	C(CCHO)(CHHO)(CH3)(H)	O(CC[5,5,6]O)(CCHH)	C(CCCH)(OC)(H)2	C(CCHO)(CHHO)(CH3)(H)	O(CC[5,5,6]O)(CCHH)	106.9270	0.000	1	106.9270	0.000	1	108.7533	3.780	20	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(OC)(H)2	C(CC[6]HO)(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	C(CCCH)(OC)(H)2	C(CC[6]HO)(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	109.1470	0.000	1	109.1470	0.000	1	108.7533	3.780	20	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(OC)(H)2	C(CHHO)(CH3)2(H)	O(CC[6]O)(CCHH)	C(CCCH)(OC)(H)2	C(CHHO)(CH3)2(H)	O(CC[6]O)(CCHH)	109.4892	2.726	6	109.4892	7.431	6	108.7533	3.780	20	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(OC)(H)2	C(CHHO)(CH3)2(H)	O(CC[6a]O)(CCHH)	C(CCCH)(OC)(H)2	C(CHHO)(CH3)2(H)	O(CC[6a]O)(CCHH)	109.0416	1.516	7	109.0416	2.298	7	108.7533	3.780	20	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(OC)(H)2	C(CSnCH)(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	C(CCCH)(OC)(H)2	C(CSnCH)(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	105.4450	0.000	1	105.4450	0.000	1	108.7533	3.780	20	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[5]CH)(OC)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	C(CC[5]CH)(OC)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	108.5250	0.000	1	108.5250	0.000	1	107.6466	0.324	5	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	O(CC[6a]O)(CCHH)	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	O(CC[6a]O)(CCHH)	107.3780	0.389	3	107.3780	0.151	3	107.6466	0.324	5	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	107.5740	0.000	1	107.5740	0.000	1	107.6466	0.324	5	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	O(CC[5]O)(CCHH)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	O(CC[5]O)(CCHH)	108.6630	0.000	1	108.6630	0.000	1	108.4776	1.223	9	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	O(CC[5,5,6]O)(CCHH)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	O(CC[5,5,6]O)(CCHH)	107.8310	0.000	1	107.8310	0.000	1	108.4776	1.223	9	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	109.4565	0.115	2	109.4565	0.013	2	108.4776	1.223	9	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	O(CC[6a]O)(CCHH)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	O(CC[6a]O)(CCHH)	108.1030	0.799	2	108.1030	0.638	2	108.4776	1.223	9	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	O(CC[6a]O)(CCHH)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	O(CC[6a]O)(CCHH)	110.2750	0.000	1	110.2750	0.000	1	108.4776	1.223	9	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	O(CC[6a]O)(CCHH)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	O(CC[6a]O)(CCHH)	107.1170	0.000	1	107.1170	0.000	1	108.4776	1.223	9	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O(CC[6a]O)(CCHH)	107.2930	0.000	1	107.2930	0.000	1	108.4776	1.223	9	108.5914	2.551	37	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(OC)(H)2	C(CCHH)(CCHO)(CHHO)(H)	O(CCHH)(CCO)	C(CCCH)(OC)(H)2	C(CCHH)(CCHO)(CHHO)(H)	O(CCHH)(CCO)	108.7350	0.000	1	108.7350	0.000	1	109.0546	3.955	10	108.7748	4.068	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	O(CCHH)(CCO)	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	O(CCHH)(CCO)	109.0976	2.060	5	109.0976	4.243	5	109.0546	3.955	10	108.7748	4.068	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(OC)(H)2	C(CCHH)2(CHHO)(H)	O(CCHH)(CCO)	C(CCCH)(OC)(H)2	C(CCHH)2(CHHO)(H)	O(CCHH)(CCO)	110.2070	0.000	1	110.2070	0.000	1	109.0546	3.955	10	108.7748	4.068	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(OC)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	O(CCHH)(CCO)	C(CCCH)(OC)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	O(CCHH)(CCO)	107.2530	0.000	1	107.2530	0.000	1	109.0546	3.955	10	108.7748	4.068	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(OC)(H)2	C(CHHO)(CH3)2(H)	O(CCHH)(CNO)	C(CCCH)(OC)(H)2	C(CHHO)(CH3)2(H)	O(CCHH)(CNO)	112.0440	0.000	1	112.0440	0.000	1	109.0546	3.955	10	108.7748	4.068	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(OC)(H)2	C(CHHO)(CH3)2(H)	O(CCHH)(CNS)	C(CCCH)(OC)(H)2	C(CHHO)(CH3)2(H)	O(CCHH)(CNS)	106.8190	0.000	1	106.8190	0.000	1	109.0546	3.955	10	108.7748	4.068	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[5]CH)(OC)(H)2	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	O(CCHH)(CCO)	C(CC[5]CH)(OC)(H)2	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	O(CCHH)(CCO)	112.6920	0.000	1	112.6920	0.000	1	109.0673	6.249	4	108.7748	4.068	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[5]CH)(OC)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	O(CCHH)(CCO)	C(CC[5]CH)(OC)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	O(CCHH)(CCO)	107.8680	0.000	1	107.8680	0.000	1	109.0673	6.249	4	108.7748	4.068	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	O(CCHH)(CCO)	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	O(CCHH)(CCO)	107.8545	1.108	2	107.8545	1.228	2	109.0673	6.249	4	108.7748	4.068	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	O(CCHH)(CCO)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	O(CCHH)(CCO)	107.6210	3.091	2	107.6210	9.557	2	107.7830	3.253	4	108.7748	4.068	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O(CCHH)(CNO)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O(CCHH)(CNO)	107.9450	0.313	2	107.9450	0.098	2	107.7830	3.253	4	108.7748	4.068	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:2:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-2:	C-3:C-4:	C(CC3)(OC)(H)2	C(CC[6a]CH)(CHHO)(CH3)(CN)	O(CC[6a]O)(CCHH)	C(CC3)(OC)(H)2	C(CC[6a]CH)(CHHO)(CH3)(CN)	O(CC[6a]O)(CCHH)	108.2670	0.000	1	108.2670	0.000	1	108.2670	0.000	1	108.3688	1.254	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:2:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	C-3:C-4:	C(CCCO)(OC)(H)2	C(CCHH)(CHHO)(CH3)(OH)	O(CC[6a]O)(CCHH)	C(CCCO)(OC)(H)2	C(CCHH)(CHHO)(CH3)(OH)	O(CC[6a]O)(CCHH)	109.3355	0.192	2	109.3355	0.037	2	108.4270	2.494	3	108.3688	1.254	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:2:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	C-3:C-4:	C(CCCO)(OC)(H)2	C(CC[6a]CH)(CHHO)(CH3)(OC)	O(CC[6a]O)(CCHH)	C(CCCO)(OC)(H)2	C(CC[6a]CH)(CHHO)(CH3)(OC)	O(CC[6a]O)(CCHH)	106.6100	0.000	1	106.6100	0.000	1	108.4270	2.494	3	108.3688	1.254	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:2:	3:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-3:C-4:	C(CC[5]CO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	O(CC[6a]O)(CCHH)	C(CC[5]CO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	O(CC[6a]O)(CCHH)	108.2960	0.000	1	108.2960	0.000	1	108.2960	0.000	1	108.3688	1.254	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:2:	4:3:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:C-3:	C(CC[5]CO)(OC)(H)2	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	O(CCHH)(CCO)	C(CC[5]CO)(OC)(H)2	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	O(CCHH)(CCO)	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:3:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-3:	C-3:C-4:	C(CC3)(OC)(H)2	C(CC[6a]2H)(CHHO)(CH3)(CCH)	O(CC[6a]O)(CCHH)	C(CC3)(OC)(H)2	C(CC[6a]2H)(CHHO)(CH3)(CCH)	O(CC[6a]O)(CCHH)	109.1360	0.000	1	109.1360	0.000	1	109.1360	0.000	1	107.9230	2.943	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:3:	3:4:	C-4:O-2:H-1:H-1:	C[4,6]-4:C-4:C-4:C-3:	C-3:C-4:	C(CC[4,6]CC)(OC)(H)2	C(C[4,6]C[4,6,6]2H)(CCHH)(CHHO)(COO)	O(CC[6a]O)(CCHH)	C(CC[4,6]CC)(OC)(H)2	C(C[4,6]C[4,6,6]2H)(CCHH)(CHHO)(COO)	O(CC[6a]O)(CCHH)	106.7100	0.000	1	106.7100	0.000	1	106.7100	0.000	1	107.9230	2.943	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:C-3:	C(CCCN)(OC)(H)2	C(CHHO)(CH3)2(NOO)	O(CCHH)(CCO)	C(CCCN)(OC)(H)2	C(CHHO)(CH3)2(NOO)	O(CCHH)(CCO)	110.6630	0.000	1	110.6630	0.000	1	110.6630	0.000	1	110.6630	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:4:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(OC)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	O(CC[6a]O)(CCHH)	C(CC3)(OC)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	O(CC[6a]O)(CCHH)	112.7830	0.000	1	112.7830	0.000	1	109.1212	3.697	12	109.1212	3.697	12	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:4:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(OC)(H)2	C(CHHO)(CH3)3	O(CC[5]O)(CCHH)	C(CC3)(OC)(H)2	C(CHHO)(CH3)3	O(CC[5]O)(CCHH)	109.2705	0.059	2	109.2705	0.003	2	109.1212	3.697	12	109.1212	3.697	12	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:4:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(OC)(H)2	C(CHHO)2(CH3)2	O(CC[5]C)(CCHH)	C(CC3)(OC)(H)2	C(CHHO)2(CH3)2	O(CC[5]C)(CCHH)	108.5210	0.000	1	108.5210	0.000	1	109.1212	3.697	12	109.1212	3.697	12	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:4:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(OC)(H)2	C(CHHO)2(CH3)2	O(CC[6a]C)(CCHH)	C(CC3)(OC)(H)2	C(CHHO)2(CH3)2	O(CC[6a]C)(CCHH)	108.6430	0.042	2	108.6430	0.002	2	109.1212	3.697	12	109.1212	3.697	12	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:4:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(OC)(H)2	C(CHHO)2(CH3)2	O(CN[5]C)(CCHH)	C(CC3)(OC)(H)2	C(CHHO)2(CH3)2	O(CN[5]C)(CCHH)	108.5955	0.400	2	108.5955	0.160	2	109.1212	3.697	12	109.1212	3.697	12	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:4:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(OC)(H)2	C(CHHO)3(CH3)	O(CC[6a]O)(CCHH)	C(CC3)(OC)(H)2	C(CHHO)3(CH3)	O(CC[6a]O)(CCHH)	106.2775	0.319	2	106.2775	0.102	2	109.1212	3.697	12	109.1212	3.697	12	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:4:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(OC)(H)2	C(CHHO)4	O(CC[5a]O)(CCHH)	C(CC3)(OC)(H)2	C(CHHO)4	O(CC[5a]O)(CCHH)	111.2885	0.091	2	111.2885	0.008	2	109.1212	3.697	12	109.1212	3.697	12	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(CC3)(OC)(H)2	C(CCHH)(CHHO)3	O(CCHH)(CCO)	C(CC3)(OC)(H)2	C(CCHH)(CHHO)3	O(CCHH)(CCO)	109.3536	1.605	8	109.3536	2.575	8	109.0780	2.344	12	109.0780	2.344	12	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(CC3)(OC)(H)2	C(CC[6a]2H)(CHHO)(CH3)2	O(CCHH)(CCO)	C(CC3)(OC)(H)2	C(CC[6a]2H)(CHHO)(CH3)2	O(CCHH)(CCO)	110.5110	0.000	1	110.5110	0.000	1	109.0780	2.344	12	109.0780	2.344	12	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(CC3)(OC)(H)2	C(CHHO)(CH3)3	O(CCHH)(CCO)	C(CC3)(OC)(H)2	C(CHHO)(CH3)3	O(CCHH)(CCO)	108.3240	0.000	1	108.3240	0.000	1	109.0780	2.344	12	109.0780	2.344	12	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(CC3)(OC)(H)2	C(CHHO)2(CH3)2	O(CCHH)(CCO)	C(CC3)(OC)(H)2	C(CHHO)2(CH3)2	O(CCHH)(CCO)	108.0680	0.000	1	108.0680	0.000	1	109.0780	2.344	12	109.0780	2.344	12	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(CC3)(OC)(H)2	C(CHHO)4	O(CCHH)(CCO)	C(CC3)(OC)(H)2	C(CHHO)4	O(CCHH)(CCO)	107.2040	0.000	1	107.2040	0.000	1	109.0780	2.344	12	109.0780	2.344	12	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:1:1:	4:5:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:C-5:H-1:H-1:	C-3:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CH4)(H)2	O(CC[5a]O)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)(CH4)(H)2	O(CC[5a]O)(CCHH)	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:2:1:	3:4:1:1:	3:4:	C-4:C-2:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[5a]HH)(CC)(OC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	O(CC[5,5,6]O)(CCCH)	C(CC[5a]HH)(CC)(OC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	O(CC[5,5,6]O)(CCCH)	104.4620	0.000	1	104.4620	0.000	1	104.4620	0.000	1	105.4560	1.976	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:2:1:	3:4:1:1:	3:4:	C-4:O-2:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]HH)(OC[6a])(CC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HH)(OC[6a])(CC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(C[6a]C[6a]2)(CCCH)	106.4500	0.000	1	106.4500	0.000	1	106.4500	0.000	1	105.4560	1.976	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:2:1:	4:1:1:1:	3:4:	C-4:O-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(OC)2(H)	C(CHOO)(H)3	O(CC[6a]O)(CCHO)	C(CH3)(OC)2(H)	C(CHOO)(H)3	O(CC[6a]O)(CCHO)	110.3510	0.000	1	110.3510	0.000	1	110.3510	0.000	1	110.3510	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:2:1:	4:1:1:1:	4:3:	C-4:O-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(OC)2(H)	C(CHOO)(H)3	O(CCHO)(COO)	C(CH3)(OC)2(H)	C(CHOO)(H)3	O(CCHO)(COO)	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:2:1:	4:2:1:1:	3:4:	C-4:O-2:O-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(OC)2(H)	C(CHOO)(OC)(H)2	O(CC[6a]O)(CCHO)	C(CHHO)(OC)2(H)	C(CHOO)(OC)(H)2	O(CC[6a]O)(CCHO)	107.5320	0.465	2	107.5320	0.216	2	107.5320	0.216	2	107.5320	0.216	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:2:1:	4:2:2:1:	3:4:	C-4:C-2:O-2:H-1:	C-4:C-2:O-2:H-1:	C-3:C-4:	C(CCHO)(CN)(OC)(H)	C(CCHO)(CN)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CN)(OC)(H)	C(CCHO)(CN)(OC)(H)	O(CC[6a]O)(CCCH)	104.7160	0.000	1	104.7160	0.000	1	104.7160	0.000	1	104.7160	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:2:1:	4:2:2:1:	4:3:	C-4:C-2:O-2:H-1:	C-4:C-2:O-2:H-1:	C-4:C-3:	C(CCHO)(CN)(OC)(H)	C(CCHO)(CN)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CN)(OC)(H)	C(CCHO)(CN)(OC)(H)	O(CCCH)(CCO)	105.4295	0.445	2	105.4295	0.198	2	105.4295	0.198	2	105.4295	0.198	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:2:1:	4:3:2:1:	3:4:	C-4:C-2:O-2:H-1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C(CCHO)(CN)(OC)(H)	C(CCHO)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CN)(OC)(H)	C(CCHO)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	113.3810	0.000	1	113.3810	0.000	1	113.3810	0.000	1	113.3810	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:2:1:	4:4:1:1:	3:4:	C-4:C-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CC)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[5,5,6]O)(CCCH)	C(CCHH)(CC)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[5,5,6]O)(CCCH)	106.7240	0.000	1	106.7240	0.000	1	106.7240	0.000	1	108.9500	9.910	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:2:1:	4:4:1:1:	3:4:	C-4:O-2:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(CC[5]HH)(OC[6])(OC)(H)	C(C[5]C[5]2C)(CHOO)(H)2	O(C[6]C[6,6]C[6])(CCHO)	C(CC[5]HH)(OC[6])(OC)(H)	C(C[5]C[5]2C)(CHOO)(H)2	O(C[6]C[6,6]C[6])(CCHO)	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	108.9500	9.910	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:3:	C-4:O-2:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(OC[6])(OC)(H)	C(C[5]C[5]2C)(CHOO)(H)2	O(CCHO)(CCO)	C(CC[5]HH)(OC[6])(OC)(H)	C(C[5]C[5]2C)(CHOO)(H)2	O(CCHO)(CCO)	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:2:1:	4:4:4:4:	4:3:	C-4:C-2:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(CC3)(CC)(OC)(H)	C(CCHO)(CHHO)(CH3)2	O(CCCH)(CCO)	C(CC3)(CC)(OC)(H)	C(CCHO)(CHHO)(CH3)2	O(CCCH)(CCO)	107.1050	0.000	1	107.1050	0.000	1	107.1050	0.000	1	107.1050	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:2:2:	4:4:4:4:	4:3:	C-4:C-2:C-2:O-2:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(CC3)(CC)2(OC)	C(CCCO)(CH3)3	O(CC3)(CCO)	C(CC3)(CC)2(OC)	C(CCCO)(CH3)3	O(CC3)(CCO)	105.4610	0.000	1	105.4610	0.000	1	105.4610	0.000	1	105.4610	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:3:1:	3:4:2:1:	3:4:	C-4:O-2:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:	C(CC[6a]HO)(OC[6a])(COO)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HO)(OC[6a])(COO)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(C[6a]C[6a]2)(CCCH)	106.9515	0.177	2	106.9515	0.032	2	106.9515	0.032	2	106.9515	0.032	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:4:1:	3:4:1:1:	3:4:	C-4:O-2:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[5a]HH)(OC[6a])(CC3)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	O(C[6a]C[6a]2)(CCCH)	C(CN[5a]HH)(OC[6a])(CC3)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	O(C[6a]C[6a]2)(CCCH)	108.1165	1.077	2	108.1165	1.160	2	107.8193	0.845	3	107.8193	0.845	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:4:1:	3:4:1:1:	3:4:	C-4:O-2:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CN[5a]HH)(OC[6a])(CHHO)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	O(C[6a]C[6a]2)(CCCH)	C(CN[5a]HH)(OC[6a])(CHHO)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	O(C[6a]C[6a]2)(CCCH)	107.2250	0.000	1	107.2250	0.000	1	107.8193	0.845	3	107.8193	0.845	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:4:1:	3:4:2:1:	3:4:	C-4:O-2:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:	C(CC[6a]HO)(OC[6a])(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HO)(OC[6a])(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(C[6a]C[6a]2)(CCCH)	104.2085	0.769	2	104.2085	0.591	2	105.5882	6.290	10	105.5882	6.290	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:4:1:	3:4:2:1:	3:4:	C-4:O-2:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:	C(CC[6a]HO)(OC[6a])(CHHO)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HO)(OC[6a])(CHHO)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(C[6a]C[6a]2)(CCCH)	105.9331	2.706	8	105.9331	7.323	8	105.5882	6.290	10	105.5882	6.290	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:4:1:	4:1:1:1:	3:4:	C-4:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]HO)(OC[6a])(CH3)(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HO)(OC[6a])(CH3)(H)	C(CCHO)(H)3	O(C[6a]C[6a]2)(CCCH)	109.6910	0.686	2	109.6910	0.470	2	109.6910	0.470	2	109.6910	0.470	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:4:1:	4:2:1:1:	3:4:	C-4:O-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]HO)(OC[6a])(CHHO)(H)	C(CCHO)(OH)(H)2	O(C[6a]C[6a]2)(CCCH)	C(CC[6a]HO)(OC[6a])(CHHO)(H)	C(CCHO)(OH)(H)2	O(C[6a]C[6a]2)(CCCH)	108.2240	2.703	8	108.2240	7.308	8	108.5872	7.582	9	108.5872	7.582	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:4:1:	4:2:1:1:	3:4:	C-4:O-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(CN[5a]HH)(OC[6a])(CHHO)(H)	C(CCHO)(OC)(H)2	O(C[6a]C[6a]2)(CCCH)	C(CN[5a]HH)(OC[6a])(CHHO)(H)	C(CCHO)(OC)(H)2	O(C[6a]C[6a]2)(CCCH)	111.4930	0.000	1	111.4930	0.000	1	108.5872	7.582	9	108.5872	7.582	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:4:1:	4:4:4:4:	3:4:	C-4:O-2:C-4:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:	C(CN[5a]HH)(OC[6a])(CC3)(H)	C(CCHO)(CH3)3	O(C[6a]C[6a]2)(CCCH)	C(CN[5a]HH)(OC[6a])(CC3)(H)	C(CCHO)(CH3)3	O(C[6a]C[6a]2)(CCCH)	107.4020	1.711	2	107.4020	2.928	2	107.4020	2.928	2	107.4020	2.928	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:4:2:	3:4:1:1:	3:4:	C-4:O-2:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	C(C[6a]C[6a]2)(CCOO)(H)2	O(C[6a]C[6a]2)(CCCO)	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	C(C[6a]C[6a]2)(CCOO)(H)2	O(C[6a]C[6a]2)(CCCO)	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:4:2:	4:4:1:1:	3:4:	C-4:O-2:C-4:O-2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	C(CCHH)(CCOO)(H)2	O(C[6a]C[6a]2)(CCCO)	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	C(CCHH)(CCOO)(H)2	O(C[6a]C[6a]2)(CCCO)	110.3380	0.000	1	110.3380	0.000	1	110.3380	0.000	1	110.3380	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:4:4:	4:1:1:1:	3:4:	C[3]-4:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(C[3]C[3]O[3]H)(OC[6a])(CH3)2	C(CC[3]CO)(H)3	O(C[6a]C[6a]2)(CC[3]CC)	C(C[3]C[3]O[3]H)(OC[6a])(CH3)2	C(CC[3]CO)(H)3	O(C[6a]C[6a]2)(CC[3]CC)	106.0855	0.639	2	106.0855	0.408	2	106.0855	0.408	2	106.8449	11.421	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(C[5]C[5]2H)(OC[6a])(CH3)2	C(CC[5]CO)(H)3	O(C[6a]C[6a]2)(CC[5]CC)	C(C[5]C[5]2H)(OC[6a])(CH3)2	C(CC[5]CO)(H)3	O(C[6a]C[6a]2)(CC[5]CC)	107.3845	3.687	6	107.3845	13.596	6	107.3845	13.596	6	106.8449	11.421	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(C[6]C[6]N[6]H)(OC[6a])(CH3)2	C(CC[6]CO)(H)3	O(C[6a]C[6a]2)(CC[6]CC)	C(C[6]C[6]N[6]H)(OC[6a])(CH3)2	C(CC[6]CO)(H)3	O(C[6a]C[6a]2)(CC[6]CC)	105.9855	5.479	2	105.9855	30.024	2	105.9855	30.024	2	106.8449	11.421	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	3:2:4:1:	4:3:	C-4:C-3:O-2:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:C-3:	C(CC[6a]HS)(CNO)(OC)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHO)(H)	O(CCCH)(CCO)	C(CC[6a]HS)(CNO)(OC)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHO)(H)	O(CCCH)(CCO)	107.9888	1.167	10	107.9888	1.363	10	107.9888	1.363	10	107.9888	1.363	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	3:3:4:1:	3:4:	C-4:C-3:O-2:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	C-3:C-4:	C(CC[6a]N[6]H)(CC[5a]O)(OC)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	O(CC[6a]O)(CCCH)	C(CC[6a]N[6]H)(CC[5a]O)(OC)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	O(CC[6a]O)(CCCH)	104.4500	0.000	1	104.4500	0.000	1	104.4500	0.000	1	104.4500	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	3:4:1:1:	3:4:	C-4:C-3:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[5a]HH)(CC[6a]O)(OC)(H)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CN[5a]HH)(CC[6a]O)(OC)(H)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	O(CC[6a]O)(CCCH)	106.2367	0.787	31	106.2367	0.620	31	106.2367	0.620	31	106.2367	0.620	31	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(CCH)(OC)(H)	C(C[5]C[5]2)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[5]HH)(CCH)(OC)(H)	C(C[5]C[5]2)(CCHO)(H)2	O(CCCH)(CCO)	107.9050	0.000	1	107.9050	0.000	1	107.9050	0.000	1	107.2125	0.522	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(CCN)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CHO)	C(CC[6a]HH)(CCN)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CHO)	107.0085	0.162	2	107.0085	0.026	2	107.3495	0.171	4	107.2125	0.522	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(CNO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[6a]HH)(CNO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CCO)	107.6905	0.151	2	107.6905	0.023	2	107.3495	0.171	4	107.2125	0.522	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:3:	C-4:N-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(NCH)(OC)(H)	C(C[6a]C[6a]2)(CHNO)(H)2	O(CCHN)(CCH)	C(CC[6a]HH)(NCH)(OC)(H)	C(C[6a]C[6a]2)(CHNO)(H)2	O(CCHN)(CCH)	105.9720	0.000	1	105.9720	0.000	1	105.9720	0.000	1	107.2125	0.522	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	3:4:2:1:	4:3:	C-4:C-3:O-2:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:C-3:	C(CC[6]HO)(CCH)(OC)(H)	C(C[6]C[6]2)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[6]HO)(CCH)(OC)(H)	C(C[6]C[6]2)(CCHO)(OC)(H)	O(CCCH)(CCO)	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	3:4:3:1:	4:3:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:	C(CC[6a]HN)(COO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	O(CCCH)(CNO)	C(CC[6a]HN)(COO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	O(CCCH)(CNO)	105.8540	0.000	1	105.8540	0.000	1	105.3905	0.430	2	105.3905	0.430	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	3:4:3:1:	4:3:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:	C(CC[6a]HN)(COO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	O(CCCH)(COO)	C(CC[6a]HN)(COO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	O(CCCH)(COO)	104.9270	0.000	1	104.9270	0.000	1	105.3905	0.430	2	105.3905	0.430	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	3:4:4:3:	3:4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-4:N-3:	C-3:C-4:	C(CC[6a]CN)(CCH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(NHS)	O(CC[6a]O)(CCCH)	C(CC[6a]CN)(CCH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(NHS)	O(CC[6a]O)(CCCH)	105.3160	0.000	1	105.3160	0.000	1	105.3160	0.000	1	105.3160	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:1:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(CCC)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	C(CH3)(CCC)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	109.3850	5.769	2	109.3850	33.276	2	107.1722	5.004	13	107.1722	5.004	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:1:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(CCH)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	C(CH3)(CCH)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	105.9685	0.152	4	105.9685	0.023	4	107.1722	5.004	13	107.1722	5.004	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:1:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(CCO)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	C(CH3)(CCO)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	105.3480	0.000	1	105.3480	0.000	1	107.1722	5.004	13	107.1722	5.004	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:1:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(CNO)(OC)(H)	C(CCHO)(H)3	O(CC[5]O)(CCCH)	C(CH3)(CNO)(OC)(H)	C(CCHO)(H)3	O(CC[5]O)(CCCH)	109.8050	0.000	1	109.8050	0.000	1	107.1722	5.004	13	107.1722	5.004	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:1:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(CNO)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	C(CH3)(CNO)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	106.9910	0.460	4	106.9910	0.211	4	107.1722	5.004	13	107.1722	5.004	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:1:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(COO)(OC)(H)	C(CCHO)(H)3	O(CC[5]O)(CCCH)	C(CH3)(COO)(OC)(H)	C(CCHO)(H)3	O(CC[5]O)(CCCH)	107.4770	0.000	1	107.4770	0.000	1	107.1722	5.004	13	107.1722	5.004	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:C-3:	C(CCl3)(CNO)(OC)(H)	C(CCHO)(Cl)3	O(CCCH)(CCO)	C(CCl3)(CNO)(OC)(H)	C(CCHO)(Cl)3	O(CCCH)(CCO)	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	106.7244	1.093	32	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(CCH)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CH3)(CCH)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	105.5740	0.404	2	105.5740	0.164	2	106.6633	1.006	31	106.7244	1.093	32	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(CCH)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CNO)	C(CH3)(CCH)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CNO)	105.4230	0.000	1	105.4230	0.000	1	106.6633	1.006	31	106.7244	1.093	32	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(CNO)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CH3)(CNO)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	106.4721	1.610	8	106.4721	2.593	8	106.6633	1.006	31	106.7244	1.093	32	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(COO)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CH3)(COO)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	106.9108	0.582	20	106.9108	0.339	20	106.6633	1.006	31	106.7244	1.093	32	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:2:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-2:H-1:H-1:	C-3:C-4:	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CC)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CC)(H)2	O(CC[6a]O)(CCCH)	108.0010	0.000	1	108.0010	0.000	1	108.0010	0.000	1	106.5365	4.290	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:2:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(CCH)(OC)(H)	C(CCHO)(OC)(H)2	O(CC[6a]O)(CCCH)	C(CHHO)(CCH)(OC)(H)	C(CCHO)(OC)(H)2	O(CC[6a]O)(CCCH)	105.0720	0.000	1	105.0720	0.000	1	105.0720	0.000	1	106.5365	4.290	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:2:2:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-2:O-2:H-1:	C-3:C-4:	C(CCHO)(CNO)(OC)(H)	C(CCHO)(CN)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CNO)(OC)(H)	C(CCHO)(CN)(OC)(H)	O(CC[6a]O)(CCCH)	106.7340	0.000	1	106.7340	0.000	1	106.7340	0.000	1	106.7340	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-3:F-1:F-1:	C-3:C-4:	C(CCFF)(CCH)(OC)(H)	C(CCHO)(CCO)(F)2	O(CC[6a]O)(CCCH)	C(CCFF)(CCH)(OC)(H)	C(CCHO)(CCO)(F)2	O(CC[6a]O)(CCCH)	107.2910	0.303	2	107.2910	0.092	2	107.2910	0.092	2	106.6082	1.420	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:	C(CCHH)(CCC)(OC)(H)	C(CCHO)(CCO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CCC)(OC)(H)	C(CCHO)(CCO)(H)2	O(CC[6a]O)(CCCH)	106.6210	2.249	2	106.6210	5.056	2	106.2668	1.871	4	106.6082	1.420	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:	C(CCHH)(CCO)(OC)(H)	C(CCHO)(CCC)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CCO)(OC)(H)	C(CCHO)(CCC)(H)2	O(CC[6a]O)(CCCH)	105.7490	0.000	1	105.7490	0.000	1	106.2668	1.871	4	106.6082	1.420	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:	C(CCHH)(COO)(OC)(H)	C(CCHO)(CCH)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(COO)(OC)(H)	C(CCHO)(CCH)(H)2	O(CC[6a]O)(CCCH)	106.0760	0.000	1	106.0760	0.000	1	106.2668	1.871	4	106.6082	1.420	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)(CCC)(OC)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(CCO)	C(CCHH)(CCC)(OC)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(CCO)	107.7167	2.316	3	107.7167	5.366	3	107.7214	9.173	7	107.7214	9.173	7	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CCC)(H)2	O(CCCH)(CCO)	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CCC)(H)2	O(CCCH)(CCO)	104.7830	0.000	1	104.7830	0.000	1	107.7214	9.173	7	107.7214	9.173	7	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(CCO)	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(CCO)	104.4170	0.000	1	104.4170	0.000	1	107.7214	9.173	7	107.7214	9.173	7	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CNO)(H)2	O(CCCH)(CCO)	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CNO)(H)2	O(CCCH)(CCO)	110.8500	2.275	2	110.8500	5.178	2	107.7214	9.173	7	107.7214	9.173	7	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:2:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C(CCHO)(CCC)(OC)(H)	C(CCHO)(CCO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CCC)(OC)(H)	C(CCHO)(CCO)(OC)(H)	O(CC[6a]O)(CCCH)	109.1500	0.000	1	109.1500	0.000	1	107.8642	2.759	55	107.8642	2.759	55	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:2:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C(CCHO)(CNO)(OC)(H)	C(CCHO)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CNO)(OC)(H)	C(CCHO)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	108.7032	2.527	5	108.7032	6.386	5	107.8642	2.759	55	107.8642	2.759	55	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:2:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C(CCHO)(CNO)(OC)(H)	C(CCHO)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CNO)(OC)(H)	C(CCHO)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	109.5040	2.099	3	109.5040	4.407	3	107.8642	2.759	55	107.8642	2.759	55	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:2:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C(CCHO)(COO)(OC)(H)	C(CCHO)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(COO)(OC)(H)	C(CCHO)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	107.9690	1.703	3	107.9690	2.900	3	107.8642	2.759	55	107.8642	2.759	55	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:2:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C(CCHO)(COO)(OC)(H)	C(CCHO)(CNO)(OH)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(COO)(OC)(H)	C(CCHO)(CNO)(OH)(H)	O(CC[6a]O)(CCCH)	108.5570	0.000	1	108.5570	0.000	1	107.8642	2.759	55	107.8642	2.759	55	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:2:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C(CCHO)(COO)(OC)(H)	C(CCHO)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(COO)(OC)(H)	C(CCHO)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	107.5926	1.498	42	107.5926	2.244	42	107.8642	2.759	55	107.8642	2.759	55	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(CCHO)(CCC)(OC)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CNO)	C(CCHO)(CCC)(OC)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CNO)	106.1012	0.902	4	106.1012	0.814	4	107.0612	1.547	13	107.0612	1.547	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(CCHO)(CCC)(OC)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(CCO)	C(CCHO)(CCC)(OC)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(CCO)	106.4020	0.000	1	106.4020	0.000	1	107.0612	1.547	13	107.0612	1.547	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(CCHO)(CCC)(OC)(H)	C(CCHO)(CCO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCC)(OC)(H)	C(CCHO)(CCO)(OC)(H)	O(CCCH)(CCO)	107.4293	1.308	3	107.4293	1.710	3	107.0612	1.547	13	107.0612	1.547	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(CCHO)(CCO)(OC)(H)	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCO)(OC)(H)	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CCO)	107.8995	1.337	4	107.8995	1.787	4	107.0612	1.547	13	107.0612	1.547	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(CCHO)(COO)(OC)(H)	C(CCHO)(COO)(OH)(H)	O(CCCH)(CCO)	C(CCHO)(COO)(OC)(H)	C(CCHO)(COO)(OH)(H)	O(CCCH)(CCO)	107.1030	0.000	1	107.1030	0.000	1	107.0612	1.547	13	107.0612	1.547	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CCC)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CCC)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	104.3450	0.000	1	104.3450	0.000	1	107.2564	4.511	8	107.1221	4.109	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CCH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[4]O)(CCCH)	C(CCHH)(CCH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[4]O)(CCCH)	105.7420	0.000	1	105.7420	0.000	1	107.2564	4.511	8	107.1221	4.109	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CCH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[5]O)(CCCH)	C(CCHH)(CCH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[5]O)(CCCH)	105.6910	0.000	1	105.6910	0.000	1	107.2564	4.511	8	107.1221	4.109	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CCH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CCH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	108.3017	1.889	4	108.3017	3.570	4	107.2564	4.511	8	107.1221	4.109	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(COO)(OC)(H)	C(CBrCC)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(COO)(OC)(H)	C(CBrCC)(CCHO)(H)2	O(CC[6a]O)(CCCH)	109.0660	0.000	1	109.0660	0.000	1	107.2564	4.511	8	107.1221	4.109	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	3:4:	C-4:C-3:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[3]HH)(CCC)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CC[3]HH)(CCC)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	O(CC[6a]O)(CCCH)	106.0480	0.000	1	106.0480	0.000	1	106.0480	0.000	1	107.1221	4.109	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CCC)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)(CCC)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	102.6520	0.000	1	102.6520	0.000	1	106.2056	4.338	11	106.0369	3.862	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CCC)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CCO)	C(CCHH)(CCC)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CCO)	108.6800	1.352	2	108.6800	1.828	2	106.2056	4.338	11	106.0369	3.862	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CCH)(OC)(H)	C(CCHN)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)(CCH)(OC)(H)	C(CCHN)(CCHO)(H)2	O(CCCH)(CCO)	105.1560	0.000	1	105.1560	0.000	1	106.2056	4.338	11	106.0369	3.862	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CCN)(OC)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(CCO)	C(CCHH)(CCN)(OC)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(CCO)	106.6870	0.000	1	106.6870	0.000	1	106.2056	4.338	11	106.0369	3.862	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CCO)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)(CCO)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	103.2190	0.000	1	103.2190	0.000	1	106.2056	4.338	11	106.0369	3.862	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CCO)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CNO)	C(CCHH)(CCO)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CNO)	107.0900	0.000	1	107.0900	0.000	1	106.2056	4.338	11	106.0369	3.862	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CCO)(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(CNO)	C(CCHH)(CCO)(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(CNO)	106.7310	0.000	1	106.7310	0.000	1	106.2056	4.338	11	106.0369	3.862	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CCO)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CCO)	C(CCHH)(CCO)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CCO)	106.5100	0.000	1	106.5100	0.000	1	106.2056	4.338	11	106.0369	3.862	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CNO)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)(CNO)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(CCO)	108.0370	0.000	1	108.0370	0.000	1	106.2056	4.338	11	106.0369	3.862	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(COO)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)(COO)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	104.8200	0.000	1	104.8200	0.000	1	106.2056	4.338	11	106.0369	3.862	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[3]HH)(CCC)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[3]HH)(CCC)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	O(CCCH)(CCO)	105.2805	0.067	2	105.2805	0.005	2	106.1245	2.484	4	106.0369	3.862	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[3]HH)(CCC)(OC)(H)	C(C[3]C[3]N[3]H)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[3]HH)(CCC)(OC)(H)	C(C[3]C[3]N[3]H)(CCHO)(H)2	O(CCCH)(CCO)	106.9685	2.145	2	106.9685	4.600	2	106.1245	2.484	4	106.0369	3.862	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(CCC)(OC)(H)	C(C[5]C[5]2C)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[5]HH)(CCC)(OC)(H)	C(C[5]C[5]2C)(CCHO)(H)2	O(CCCH)(CCO)	104.0310	0.000	1	104.0310	0.000	1	106.1255	8.774	2	106.0369	3.862	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(CCO)(OC)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[5]HH)(CCO)(OC)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	O(CCCH)(CCO)	108.2200	0.000	1	108.2200	0.000	1	106.1255	8.774	2	106.0369	3.862	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:3:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[6]HH)(CCH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[6]HH)(CCH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	O(CCCH)(CCO)	103.6530	0.000	1	103.6530	0.000	1	103.6530	0.000	1	106.0369	3.862	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:2:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(CCC)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CCC)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]O)(CCCH)	107.7198	0.769	5	107.7198	0.592	5	107.2974	1.850	9	107.2974	1.850	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:2:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(CCC)(OC)(H)	C(CCHO)2(OH)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CCC)(OC)(H)	C(CCHO)2(OH)(H)	O(CC[6a]O)(CCCH)	107.1510	0.000	1	107.1510	0.000	1	107.2974	1.850	9	107.2974	1.850	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:2:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(CCH)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CCH)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	104.4130	0.000	1	104.4130	0.000	1	107.2974	1.850	9	107.2974	1.850	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:2:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CH3)(OC)(H)	O(CC[5,5,6]O)(CCCH)	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CH3)(OC)(H)	O(CC[5,5,6]O)(CCCH)	106.5780	0.000	1	106.5780	0.000	1	107.2974	1.850	9	107.2974	1.850	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:2:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(CCO)(OC)(H)	C(CCHO)(CH3)(OC)(H)	O(CC[5,5,6]O)(CCCH)	C(CCHO)(CCO)(OC)(H)	C(CCHO)(CH3)(OC)(H)	O(CC[5,5,6]O)(CCCH)	108.9360	0.000	1	108.9360	0.000	1	107.2974	1.850	9	107.2974	1.850	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CCH)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(CCO)	106.8060	0.000	1	106.8060	0.000	1	107.9402	2.136	8	107.5254	2.435	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CH3)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CH3)(OC)(H)	O(CCCH)(CCO)	109.3390	0.953	2	109.3390	0.909	2	107.9402	2.136	8	107.5254	2.435	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CH3)(OH)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CH3)(OH)(H)	O(CCCH)(CCO)	106.8710	0.000	1	106.8710	0.000	1	107.9402	2.136	8	107.5254	2.435	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CCH)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	107.3840	0.000	1	107.3840	0.000	1	107.9402	2.136	8	107.5254	2.435	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CCH)(OC)(H)	C(CCHO)2(OH)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(OC)(H)	C(CCHO)2(OH)(H)	O(CCCH)(CCO)	105.7400	0.000	1	105.7400	0.000	1	107.9402	2.136	8	107.5254	2.435	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CCN)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCN)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	108.6950	0.000	1	108.6950	0.000	1	107.9402	2.136	8	107.5254	2.435	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(COO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	C(CCHO)(COO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	109.3480	0.000	1	109.3480	0.000	1	107.9402	2.136	8	107.5254	2.435	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:3:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[6]HO)(CCH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[6]HO)(CCH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	105.8660	0.281	2	105.8660	0.079	2	105.8660	0.079	2	107.5254	2.435	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:3:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-3:C-4:	C(CCCH)(CCH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CCH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CC[6a]O)(CCCH)	106.5090	0.055	2	106.5090	0.003	2	106.5090	0.003	2	106.5090	0.003	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(CCCH)(CCC)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(CCO)	C(CCCH)(CCC)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(CCO)	106.1685	0.538	2	106.1685	0.290	2	105.9030	0.356	3	106.8020	1.829	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(CCCH)(CCH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(CCO)	C(CCCH)(CCH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(CCO)	105.3720	0.000	1	105.3720	0.000	1	105.9030	0.356	3	106.8020	1.829	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCHN)(COO)(OC)(H)	C(CCHO)(CF3)(NHS)(H)	O(CCCH)(COO)	C(CCHN)(COO)(OC)(H)	C(CCHO)(CF3)(NHS)(H)	O(CCCH)(COO)	106.1550	0.000	1	106.1550	0.000	1	107.7010	1.793	3	106.8020	1.829	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCHN)(COO)(OC)(H)	C(CClCC)(CCHO)(NHS)(H)	O(CCCH)(COO)	C(CCHN)(COO)(OC)(H)	C(CClCC)(CCHO)(NHS)(H)	O(CCCH)(COO)	108.4740	0.014	2	108.4740	0.000	2	107.7010	1.793	3	106.8020	1.829	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:3:2:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:C-3:	C(CCCO)(COO)(OC)(H)	C(CCCO)(CCHO)(COO)(OSi)	O(CCCH)(CCO)	C(CCCO)(COO)(OC)(H)	C(CCCO)(CCHO)(COO)(OSi)	O(CCCH)(CCO)	114.7320	0.000	1	114.7320	0.000	1	114.7320	0.000	1	114.7320	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:4:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CCC)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CC[5]O)(CCCH)	C(CCCH)(CCC)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CC[5]O)(CCCH)	105.4650	0.000	1	105.4650	0.000	1	107.2957	1.751	4	107.2957	1.751	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:4:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	108.0835	0.771	2	108.0835	0.595	2	107.2957	1.751	4	107.2957	1.751	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:4:1:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CNO)(OC)(H)	C(CCHO)(CH3)2(H)	O(CC[5]O)(CCCH)	C(CCCH)(CNO)(OC)(H)	C(CCHO)(CH3)2(H)	O(CC[5]O)(CCCH)	107.5510	0.000	1	107.5510	0.000	1	107.2957	1.751	4	107.2957	1.751	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CCC)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(CNO)	C(CCCH)(CCC)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(CNO)	109.0940	2.055	2	109.0940	4.222	2	108.6560	5.295	9	108.3309	4.907	11	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CCH)(OC)(H)	C(CCCH)(CCHO)2(H)	O(CCCH)(CCO)	C(CCCH)(CCH)(OC)(H)	C(CCCH)(CCHO)2(H)	O(CCCH)(CCO)	107.8720	4.107	2	107.8720	16.866	2	108.6560	5.295	9	108.3309	4.907	11	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CCH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CNO)	C(CCCH)(CCH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CNO)	109.9090	0.000	1	109.9090	0.000	1	108.6560	5.295	9	108.3309	4.907	11	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CNO)(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CCO)	C(CCCH)(CNO)(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CCO)	108.5157	2.450	4	108.5157	6.004	4	108.6560	5.295	9	108.3309	4.907	11	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:3:	C-4:C-3:O-2:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[3]CH)(CCC)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	O(CCCH)(CCO)	C(CC[3]CH)(CCC)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	O(CCCH)(CCO)	106.0090	0.000	1	106.0090	0.000	1	106.0090	0.000	1	108.3309	4.907	11	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:3:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[5]CH)(CCO)(OC)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	O(CCCH)(CCO)	C(CC[5]CH)(CCO)(OC)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	O(CCCH)(CCO)	107.7270	0.000	1	107.7270	0.000	1	107.7270	0.000	1	108.3309	4.907	11	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:4:2:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(CCCO)(CCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OH)	O(CCCH)(CCO)	C(CCCO)(CCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OH)	O(CCCH)(CCO)	105.1320	0.000	1	105.1320	0.000	1	105.1320	0.000	1	105.1320	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:4:3:	3:4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:N-3:	C-3:C-4:	C(CCCN)(CCH)(OC)(H)	C(CCCH)(CCHO)(CH3)(NHS)	O(CC[6a]O)(CCCH)	C(CCCN)(CCH)(OC)(H)	C(CCCH)(CCHO)(CH3)(NHS)	O(CC[6a]O)(CCCH)	105.9430	0.000	1	105.9430	0.000	1	105.9430	0.000	1	105.9430	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:1:	4:4:4:4:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(CC3)(CCO)(OC)(H)	C(CCHH)(CCHO)(CH3)2	O(CCCH)(CNO)	C(CC3)(CCO)(OC)(H)	C(CCHH)(CCHO)(CH3)2	O(CCCH)(CNO)	105.6505	2.481	2	105.6505	6.157	2	105.6505	6.157	2	105.6505	6.157	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:2:	3:4:3:1:	4:3:	C-4:C-3:C-2:O-2:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:	C(CC[6a]HN)(COO)(CN)(OC)	C(C[6a]C[6a]2)(CCCO)(NCH)(H)	O(CC3)(COO)	C(CC[6a]HN)(COO)(CN)(OC)	C(C[6a]C[6a]2)(CCCO)(NCH)(H)	O(CC3)(COO)	106.6170	0.000	1	106.6170	0.000	1	106.6170	0.000	1	106.6170	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:2:2:	4:4:1:1:	4:3:	C-4:C-3:C-2:O-2:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(COO)(CN)(OC)	C(CC[6a]HH)(CCCO)(H)2	O(CC3)(CNO)	C(CCHH)(COO)(CN)(OC)	C(CC[6a]HH)(CCCO)(H)2	O(CC3)(CNO)	106.2250	0.000	1	106.2250	0.000	1	106.2250	0.000	1	106.2250	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:3:2:	3:4:4:1:	4:3:	C-4:C-3:C-3:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:	C(CC[6a]CH)(COO)2(OC)	C(C[6a]C[6a]2)(CCCO)(CCHH)(H)	O(CC3)(CCO)	C(CC[6a]CH)(COO)2(OC)	C(C[6a]C[6a]2)(CCCO)(CCHH)(H)	O(CC3)(CCO)	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:3:4:2:	4:1:1:1:	4:3:	C[6]-4:C[6]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	C(CC[6]2O)(H)3	O(CC[6]2C)(CC[6a]O)	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	C(CC[6]2O)(H)3	O(CC[6]2C)(CC[6a]O)	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	2:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-3:C-4:	C(CBrHH)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CBrHH)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	O(CC[6a]O)(CCCH)	110.5130	0.000	1	110.5130	0.000	1	108.2337	5.762	3	108.2337	5.762	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	2:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-3:C-4:	C(CCHO)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	O(CC[5,5,6]O)(CCCH)	C(CCHO)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	O(CC[5,5,6]O)(CCCH)	107.0940	1.932	2	107.0940	3.732	2	108.2337	5.762	3	108.2337	5.762	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	2:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:	C(CHHN)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	O(CCCH)(CCO)	C(CHHN)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	O(CCCH)(CCO)	112.8910	0.000	1	112.8910	0.000	1	112.8910	0.000	1	112.8910	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	2:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-3:C-4:	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHO)(CHHO)(H)	O(CC[6a]O)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHO)(CHHO)(H)	O(CC[6a]O)(CCCH)	104.6720	0.000	1	104.6720	0.000	1	104.6720	0.000	1	104.6720	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	2:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:C-3:	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHH)(CCHO)(H)	O(CCCH)(CCO)	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHH)(CCHO)(H)	O(CCCH)(CCO)	107.8710	0.000	1	107.8710	0.000	1	107.8710	0.000	1	107.8710	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	2:4:4:4:	4:3:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-4:	C-4:C-3:	C(CCCO)(CCHH)(OC)(H)	C(OC[6])(CCHH)(CCHO)(CH3)	O(CCCH)(CCO)	C(CCCO)(CCHH)(OC)(H)	C(OC[6])(CCHH)(CCHO)(CH3)	O(CCCH)(CCO)	109.2200	0.000	1	109.2200	0.000	1	110.7005	4.384	2	110.7005	4.384	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	2:4:4:4:	4:3:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-4:	C-4:C-3:	C(CCCO)(CCHH)(OC)(H)	C(OC[6])(CCHO)(CH3)2	O(CCCH)(CCO)	C(CCCO)(CCHH)(OC)(H)	C(OC[6])(CCHO)(CH3)2	O(CCCH)(CCO)	112.1810	0.000	1	112.1810	0.000	1	110.7005	4.384	2	110.7005	4.384	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:2:4:1:	4:3:	C-4:C-4:O-2:H-1:	N[5a]-3:O-2:C-4:H-1:	C-4:C-3:	C(CN[5a]HO)(CC3)(OC)(H)	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	O(CCCH)(CCO)	C(CN[5a]HO)(CC3)(OC)(H)	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	O(CCCH)(CCO)	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:3:4:1:	3:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-3:C-4:	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	O(CC[6a]O)(CCCH)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	O(CC[6a]O)(CCCH)	102.2010	0.000	1	102.2010	0.000	1	102.2010	0.000	1	102.2010	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:3:4:1:	4:3:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:	C(CC[6a]2H)(CCCH)(OC)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	O(CCCH)(CCO)	C(CC[6a]2H)(CCCH)(OC)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	O(CCCH)(CCO)	107.7150	0.000	1	107.7150	0.000	1	107.6330	13.478	4	107.6330	13.478	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:3:4:1:	4:3:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:	C(CC[6a]2H)(CH3)(OC)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	O(CCCH)(CCO)	C(CC[6a]2H)(CH3)(OC)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	O(CCCH)(CCO)	107.6057	4.496	3	107.6057	20.212	3	107.6330	13.478	4	107.6330	13.478	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]HH)(CCHO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CC[6a]HH)(CCHO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CC[6a]O)(CCCH)	110.1410	0.000	1	110.1410	0.000	1	108.6350	4.536	2	107.8265	7.155	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]HH)(CHHO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CC[6a]HH)(CHHO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CC[6a]O)(CCCH)	107.1290	0.000	1	107.1290	0.000	1	108.6350	4.536	2	107.8265	7.155	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-3:C-4:	C(CHHN)(CHHO)(OC)(H)	C(NC[6a]S)(CCHO)(H)2	O(CC[6a]C)(CCCH)	C(CHHN)(CHHO)(OC)(H)	C(NC[6a]S)(CCHO)(H)2	O(CC[6a]C)(CCCH)	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	107.8265	7.155	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[5a]HH)(CClHH)(OC)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CN[5a]HH)(CClHH)(OC)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	O(CC[6a]O)(CCCH)	105.2280	0.635	2	105.2280	0.403	2	105.7517	1.024	3	107.8265	7.155	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[5a]HH)(CH3)(OC)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CN[5a]HH)(CH3)(OC)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	O(CC[6a]O)(CCCH)	106.7990	0.000	1	106.7990	0.000	1	105.7517	1.024	3	107.8265	7.155	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	B-3:C-4:	C(CN[6]HH)(CH3)(OB)(H)	C(N[6]B[6]C[6])(CCHO)(H)2	O(BC[6a]O)(CCCH)	C(CN[6]HH)(CH3)(OB)(H)	C(N[6]B[6]C[6])(CCHO)(H)2	O(BC[6a]O)(CCCH)	113.7060	0.000	1	113.7060	0.000	1	113.7060	0.000	1	107.8265	7.155	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[6]HH)(CCHN)(OC)(H)	C(N[6]C[6]2)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CN[6]HH)(CCHN)(OC)(H)	C(N[6]C[6]2)(CCHO)(H)2	O(CC[6a]O)(CCCH)	107.6885	0.593	2	107.6885	0.352	2	107.6885	0.352	2	107.8265	7.155	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	C-3:C-4:	C(CSeHH)2(OC)(H)	C(SeFe2)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CSeHH)2(OC)(H)	C(SeFe2)(CCHO)(H)2	O(CC[6a]O)(CCCH)	106.9652	2.654	4	106.9652	7.045	4	106.9652	7.045	4	107.8265	7.155	13	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)2(OC)(H)	C(CC[6]O)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)2(OC)(H)	C(CC[6]O)(CCHO)(H)2	O(CCCH)(CCO)	104.8110	0.000	1	104.8110	0.000	1	104.8110	0.000	1	106.6625	1.344	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[5a]HH)(CH3)(OC)(H)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	O(CCCH)(CCO)	C(CC[5a]HH)(CH3)(OC)(H)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	O(CCCH)(CCO)	105.8680	0.000	1	105.8680	0.000	1	105.8680	0.000	1	106.6625	1.344	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[6a]HH)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CCO)	106.0870	0.000	1	106.0870	0.000	1	106.8930	0.712	5	106.6625	1.344	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[6a]HH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CCO)	107.5400	0.000	1	107.5400	0.000	1	106.8930	0.712	5	106.6625	1.344	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[6a]HH)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CCO)	106.9460	0.942	3	106.9460	0.886	3	106.8930	0.712	5	106.6625	1.344	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CN[5a]HH)(CH3)(OC)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	O(CCCH)(CCO)	C(CN[5a]HH)(CH3)(OC)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	O(CCCH)(CCO)	108.1560	0.000	1	108.1560	0.000	1	108.1560	0.000	1	106.6625	1.344	8	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-3:C-4:	C(CC[6a]HO)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]C)(CCCH)	C(CC[6a]HO)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]C)(CCCH)	111.4070	0.000	1	111.4070	0.000	1	108.1450	21.281	2	108.1450	21.281	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-3:C-4:	C(CC[6a]HO)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[6a]HO)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	104.8830	0.000	1	104.8830	0.000	1	108.1450	21.281	2	108.1450	21.281	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-3:	C(CC[6a]CH)(CC3)(OC)(H)	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	O(CCCH)(CCO)	C(CC[6a]CH)(CC3)(OC)(H)	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	O(CCCH)(CCO)	106.9110	0.000	1	106.9110	0.000	1	106.9110	0.000	1	107.5306	6.832	7	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C(CC[6a]HO)(CCFF)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[6a]HO)(CCFF)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CCCH)(CCO)	110.4270	0.000	1	110.4270	0.000	1	110.1943	0.507	3	107.5306	6.832	7	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C(CC[6a]HO)(CCHO)(OC)(H)	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[6a]HO)(CCHO)(OC)(H)	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	O(CCCH)(CCO)	110.0780	0.966	2	110.0780	0.933	2	110.1943	0.507	3	107.5306	6.832	7	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:C-3:	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	O(CC[6]CH)(CCO)	105.0830	0.000	1	105.0830	0.000	1	105.0830	0.000	1	107.5306	6.832	7	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:C-3:	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CCO)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CCO)	105.3790	0.000	1	105.3790	0.000	1	105.0685	0.193	2	107.5306	6.832	7	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:C-3:	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CCO)	104.7580	0.000	1	104.7580	0.000	1	105.0685	0.193	2	107.5306	6.832	7	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:3:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:	C(CC[6a]HN)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	O(CCCH)(CCO)	C(CC[6a]HN)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	O(CCCH)(CCO)	108.7230	0.000	1	108.7230	0.000	1	108.7230	0.000	1	105.9630	5.980	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:3:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:	C(CN[5]CH)(CCCH)(OC)(H)	C(N[5]C[5]2)(CCHO)(CNO)(H)	O(CCCH)(CCO)	C(CN[5]CH)(CCCH)(OC)(H)	C(N[5]C[5]2)(CCHO)(CNO)(H)	O(CCCH)(CCO)	104.5830	0.731	2	104.5830	0.535	2	104.5830	0.535	2	105.9630	5.980	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	C[5]-3:C-4:C-4:H-1:	C-3:C-4:	C(CC[5]CH)(CCHH)(OC)(H)	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	O(CC[6a]O)(CCCH)	C(CC[5]CH)(CCHH)(OC)(H)	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	O(CC[6a]O)(CCCH)	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	106.9117	2.533	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-3:C-4:	C(CC[6a]CH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	C(CC[6a]CH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	105.5580	0.000	1	105.5580	0.000	1	106.0350	0.455	2	106.9117	2.533	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-3:C-4:	C(CC[6a]CH)(CF3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	C(CC[6a]CH)(CF3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	106.5120	0.000	1	106.5120	0.000	1	106.0350	0.455	2	106.9117	2.533	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CC[3]O)(CCHO)(CH3)(H)	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CC[3]O)(CCHO)(CH3)(H)	O(CCCH)(CCO)	104.4630	0.000	1	104.4630	0.000	1	106.3727	9.245	3	107.4798	16.099	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CN[5]O)(CCHO)(CH3)(H)	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CN[5]O)(CCHO)(CH3)(H)	O(CCCH)(CCO)	104.7760	0.000	1	104.7760	0.000	1	106.3727	9.245	3	107.4798	16.099	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:C-3:	C(CC[6a]HH)(CCCH)(OC)(H)	C(CC[6a]O)(CCHO)(CH3)(H)	O(CCCH)(CCO)	C(CC[6a]HH)(CCCH)(OC)(H)	C(CC[6a]O)(CCHO)(CH3)(H)	O(CCCH)(CCO)	109.8790	0.000	1	109.8790	0.000	1	106.3727	9.245	3	107.4798	16.099	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:	C(CC[6a]CH)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	O(CCCH)(CCO)	C(CC[6a]CH)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	O(CCCH)(CCO)	104.8560	0.000	1	104.8560	0.000	1	109.1405	36.714	2	107.4798	16.099	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:	C(CC[6a]CH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	O(CCCH)(CCO)	C(CC[6a]CH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	O(CCCH)(CCO)	113.4250	0.000	1	113.4250	0.000	1	109.1405	36.714	2	107.4798	16.099	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	3:4:4:3:	3:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:C-3:	C-3:C-4:	C(CC[6a]CC)(CF3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(CCH)	O(CC[6a]O)(CCCH)	C(CC[6a]CC)(CF3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(CCH)	O(CC[6a]O)(CCCH)	108.6930	0.000	1	108.6930	0.000	1	108.6930	0.000	1	108.6930	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:Br-1:H-1:H-1:	C-3:C-4:	C(CBrHH)(CHHO)(OC)(H)	C(CCHO)(Br)(H)2	O(CC[6a]O)(CCCH)	C(CBrHH)(CHHO)(OC)(H)	C(CCHO)(Br)(H)2	O(CC[6a]O)(CCCH)	107.1610	0.000	1	107.1610	0.000	1	107.1610	0.000	1	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-3:C-4:	C(CClHH)(CCHH)(OC)(H)	C(CCHO)(Cl)(H)2	O(CC[6a]O)(CCCH)	C(CClHH)(CCHH)(OC)(H)	C(CCHO)(Cl)(H)2	O(CC[6a]O)(CCCH)	107.1580	0.000	1	107.1580	0.000	1	109.0410	2.784	4	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-3:C-4:	C(CClHH)(CHHS)(OC)(H)	C(CCHO)(Cl)(H)2	O(CC[6a]O)(CCCH)	C(CClHH)(CHHS)(OC)(H)	C(CCHO)(Cl)(H)2	O(CC[6a]O)(CCCH)	110.2600	0.000	1	110.2600	0.000	1	109.0410	2.784	4	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-3:C-4:	C(CN[5a]HH)(CClHH)(OC)(H)	C(CCHO)(Cl)(H)2	O(CC[6a]O)(CCCH)	C(CN[5a]HH)(CClHH)(OC)(H)	C(CCHO)(Cl)(H)2	O(CC[6a]O)(CCCH)	109.3730	1.761	2	109.3730	3.100	2	109.0410	2.784	4	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-3:C-4:	C(CC[6a]CC)(CF3)(OC)(H)	C(CCHO)(F)3	O(CC[6a]O)(CCCH)	C(CC[6a]CC)(CF3)(OC)(H)	C(CCHO)(F)3	O(CC[6a]O)(CCCH)	103.0450	0.000	1	103.0450	0.000	1	106.7946	3.437	8	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-3:C-4:	C(CC[6a]CH)(CF3)(OC)(H)	C(CCHO)(F)3	O(CC[6a]O)(CCCH)	C(CC[6a]CH)(CF3)(OC)(H)	C(CCHO)(F)3	O(CC[6a]O)(CCCH)	106.8070	0.000	1	106.8070	0.000	1	106.7946	3.437	8	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-3:C-4:	C(CF3)2(OC)(H)	C(CCHO)(F)3	O(CC[6a]O)(CCCH)	C(CF3)2(OC)(H)	C(CCHO)(F)3	O(CC[6a]O)(CCCH)	107.4175	1.239	6	107.4175	1.534	6	106.7946	3.437	8	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:F-1:H-1:H-1:	C-3:C-4:	C(CFHH)2(OC)(H)	C(CCHO)(F)(H)2	O(CC[6a]O)(CCCH)	C(CFHH)2(OC)(H)	C(CCHO)(F)(H)2	O(CC[6a]O)(CCCH)	108.6928	0.299	4	108.6928	0.089	4	108.6928	0.089	4	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:	C(CH3)2(OB)(H)	C(CCHO)(H)3	O(BC[6a]C)(CCCH)	C(CH3)2(OB)(H)	C(CCHO)(H)3	O(BC[6a]C)(CCCH)	107.9500	1.690	2	107.9500	2.856	2	107.5840	1.830	3	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:	C(CN[6]HH)(CH3)(OB)(H)	C(CCHO)(H)3	O(BC[6a]O)(CCCH)	C(CN[6]HH)(CH3)(OB)(H)	C(CCHO)(H)3	O(BC[6a]O)(CCCH)	106.8520	0.000	1	106.8520	0.000	1	107.5840	1.830	3	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[3]O)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[3]O)(CCCH)	108.0497	2.361	3	108.0497	5.576	3	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[4,4,6]O)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[4,4,6]O)(CCCH)	108.0240	2.004	4	108.0240	4.015	4	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	108.8760	1.588	31	108.8760	2.523	31	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[5,5,6]O)(CCCH)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[5,5,6]O)(CCCH)	107.9120	0.000	1	107.9120	0.000	1	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	109.7165	0.473	2	109.7165	0.224	2	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CC[3]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	C(CC[3]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	109.6550	0.045	2	109.6550	0.002	2	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CC[5]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	C(CC[5]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	107.0750	0.000	1	107.0750	0.000	1	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CC[6]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	C(CC[6]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	110.1350	0.000	1	110.1350	0.000	1	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CC[6a]HO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]C)(CCCH)	C(CC[6a]HO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]C)(CCCH)	109.3820	0.000	1	109.3820	0.000	1	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CC[6a]HO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	C(CC[6a]HO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	107.4420	0.000	1	107.4420	0.000	1	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[5,5]O)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[5,5]O)(CCCH)	107.1189	2.090	12	107.1189	4.366	12	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[5,6]O)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[5,6]O)(CCCH)	107.5418	2.724	4	107.5418	7.422	4	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[5]O)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[5]O)(CCCH)	107.1478	1.772	66	107.1478	3.138	66	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[5a]O)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[5a]O)(CCCH)	107.2582	1.733	6	107.2582	3.004	6	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[6,6]O)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[6,6]O)(CCCH)	109.8600	0.786	2	109.8600	0.618	2	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[6]O)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[6]O)(CCCH)	107.1758	1.564	71	107.1758	2.446	71	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	107.1897	1.842	54	107.1897	3.393	54	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CN[5]O)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CN[5]O)(CCCH)	107.1796	1.720	52	107.1796	2.958	52	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CN[5a]O)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CN[5a]O)(CCCH)	107.4242	2.109	6	107.4242	4.450	6	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CN[6]O)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CN[6]O)(CCCH)	106.8270	1.904	8	106.8270	3.625	8	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CHHO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[5]O)(CCCH)	C(CHHO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[5]O)(CCCH)	109.3420	0.000	1	109.3420	0.000	1	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CHHO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	C(CHHO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	108.0613	2.236	4	108.0613	4.998	4	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CHHS)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6]O)(CCCH)	C(CHHS)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6]O)(CCCH)	107.3147	1.688	3	107.3147	2.851	3	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CN[5a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	C(CN[5a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]O)(CCCH)	108.3390	0.000	1	108.3390	0.000	1	107.4327	3.265	337	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C[6]-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-3:C-4:	C(C[6]C[6]2H)(CF3)(OC)(H)	C(CC[6]HO)(F)3	O(CC[5,5,6]O)(CC[6]CH)	C(C[6]C[6]2H)(CF3)(OC)(H)	C(CC[6]HO)(F)3	O(CC[5,5,6]O)(CC[6]CH)	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	107.4505	3.231	358	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CC[4]HH)(CH3)(ON)(H)	C(CCHO)(H)3	O(CCCH)(NC)	C(CC[4]HH)(CH3)(ON)(H)	C(CCHO)(H)3	O(CCCH)(NC)	105.0940	0.000	1	105.0940	0.000	1	107.0642	9.374	5	107.0642	9.374	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)2(ON)(H)	C(CCHO)(H)3	O(CCCH)(NC)	C(CH3)2(ON)(H)	C(CCHO)(H)3	O(CCCH)(NC)	107.5567	3.299	4	107.5567	10.881	4	107.0642	9.374	5	107.0642	9.374	5	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:C-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(OC)(C)	C(CCCO)(H)3	O(CC3)(CCO)	C(CH3)2(OC)(C)	C(CCCO)(H)3	O(CC3)(CCO)	110.7280	0.214	2	110.7280	0.046	2	110.7280	0.046	2	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:Br-1:H-1:H-1:	C-4:C-3:	C(CBrHH)(CCHH)(OC)(H)	C(CCHO)(Br)(H)2	O(CCCH)(CCO)	C(CBrHH)(CCHH)(OC)(H)	C(CCHO)(Br)(H)2	O(CCCH)(CCO)	104.6530	0.000	1	104.6530	0.000	1	104.6530	0.000	1	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-3:	C(CClHH)(CCHO)(OC)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(CCO)	C(CClHH)(CCHO)(OC)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(CCO)	108.8360	0.000	1	108.8360	0.000	1	108.8360	0.000	1	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:B-3:	C(CF3)2(OB)(H)	C(CCHO)(F)3	O(CCCH)(BOO)	C(CF3)2(OB)(H)	C(CCHO)(F)3	O(CCCH)(BOO)	107.8252	0.813	8	107.8252	0.660	8	107.8252	0.660	8	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:C-3:	C(CF3)2(OC)(H)	C(CCHO)(F)3	O(CCCH)(CCO)	C(CF3)2(OC)(H)	C(CCHO)(F)3	O(CCCH)(CCO)	107.3618	1.073	12	107.3618	1.151	12	107.3341	0.990	14	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:C-3:	C(CF3)2(OC)(H)	C(CCHO)(F)3	O(CCCH)(CNO)	C(CF3)2(OC)(H)	C(CCHO)(F)3	O(CCCH)(CNO)	107.1680	0.390	2	107.1680	0.152	2	107.3341	0.990	14	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CC3)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CC3)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	105.8760	0.000	1	105.8760	0.000	1	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CCCH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CCCH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	106.2872	2.541	5	106.2872	6.459	5	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	107.7173	1.941	37	107.7173	3.768	37	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CCHN)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CCHN)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	108.6628	2.038	4	108.6628	4.152	4	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	108.2806	1.903	7	108.2806	3.620	7	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CC[4]CC)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CC[4]CC)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	107.7470	0.000	1	107.7470	0.000	1	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CC[5]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	109.5620	0.245	4	109.5620	0.060	4	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CC[5]HO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CHO)	C(CC[5]HO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CHO)	108.2362	1.043	4	108.2362	1.088	4	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CC[5a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CC[5a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	108.6780	0.000	1	108.6780	0.000	1	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CC[6]HO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CC[6]HO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	109.1440	0.000	1	109.1440	0.000	1	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CC[6a]2H)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CC[6a]2H)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	109.1883	2.384	3	109.1883	5.683	3	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CC[6a]C[5]H)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CC[6a]C[5]H)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	109.8520	0.000	1	109.8520	0.000	1	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CC[6a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	106.9327	0.906	3	106.9327	0.820	3	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CC[6a]HN)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CC[6a]HN)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	105.1400	0.000	1	105.1400	0.000	1	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCH)	109.0125	2.408	2	109.0125	5.797	2	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCN)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCN)	106.9394	2.408	16	106.9394	5.798	16	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	107.1580	1.650	174	107.1580	2.722	174	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CNN)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CNN)	107.8765	3.637	2	107.8765	13.225	2	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CNO)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CNO)	107.3055	2.141	90	107.3055	4.583	90	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CNS)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CNS)	106.9103	2.339	12	106.9103	5.472	12	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(COS)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(COS)	106.8975	3.344	2	106.8975	11.182	2	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CPdO)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CPdO)	107.3735	2.954	2	107.3735	8.724	2	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CSS)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CSS)	106.7229	1.519	22	106.7229	2.306	22	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CHHN)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CNO)	C(CHHN)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CNO)	108.0770	0.000	1	108.0770	0.000	1	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CN[5a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	C(CN[5a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCO)	107.9380	0.000	1	107.9380	0.000	1	107.3017	3.605	397	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:P-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(PO3)(OC)(H)	C(CHOP)(H)3	O(CCHP)(CCO)	C(CH3)(PO3)(OC)(H)	C(CHOP)(H)3	O(CCHP)(CCO)	107.6135	0.093	2	107.6135	0.009	2	107.6135	0.009	2	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[3]C[3]2H)(CH3)(OC)(H)	C(CC[3]HO)(H)3	O(CC[3]CH)(CC[6a]O)	C(C[3]C[3]2H)(CH3)(OC)(H)	C(CC[3]HO)(H)3	O(CC[3]CH)(CC[6a]O)	109.5730	0.000	1	109.5730	0.000	1	108.9732	4.534	4	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[3]C[3]2H)(CH3)(OC)(H)	C(CC[3]HO)(H)3	O(CC[3]CH)(CNO)	C(C[3]C[3]2H)(CH3)(OC)(H)	C(CC[3]HO)(H)3	O(CC[3]CH)(CNO)	108.6905	3.617	2	108.6905	13.082	2	108.9732	4.534	4	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[3]C[3]N[3]H)(CH3)(OC)(H)	C(CC[3]HO)(H)3	O(CC[3]CH)(CC[6a]O)	C(C[3]C[3]N[3]H)(CH3)(OC)(H)	C(CC[3]HO)(H)3	O(CC[3]CH)(CC[6a]O)	108.9390	0.000	1	108.9390	0.000	1	108.9732	4.534	4	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[5]C[5,5]C[5]H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5,5]C[5]H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CC[6a]O)	110.7500	0.000	1	110.7500	0.000	1	108.2184	2.935	21	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[5]C[5,5]N[5,6]H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CNO)	C(C[5]C[5,5]N[5,6]H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CNO)	106.3340	0.000	1	106.3340	0.000	1	108.2184	2.935	21	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CCO)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CCO)	107.0774	1.085	7	107.0774	1.177	7	108.2184	2.935	21	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CC[6a]O)	109.4240	0.778	2	109.4240	0.605	2	108.2184	2.935	21	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[5]C[5]2Fe)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CCO)	C(C[5]C[5]2Fe)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CCO)	109.1285	0.959	4	109.1285	0.920	4	108.2184	2.935	21	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[5]C[5]2Fe)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]2Fe)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CC[6a]O)	107.1927	2.359	3	107.1927	5.563	3	108.2184	2.935	21	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CCO)	109.5950	0.000	1	109.5950	0.000	1	108.2184	2.935	21	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]2H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CC[6a]O)	109.7130	1.525	2	109.7130	2.324	2	108.2184	2.935	21	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[5,6]C[6]C)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CC[6a]O)	C(C[6]C[5,6]C[6]C)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CC[6a]O)	105.1060	0.000	1	105.1060	0.000	1	107.6134	4.518	5	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[6]2O)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CC[6a]O)	C(C[6]C[6]2O)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CC[6a]O)	107.9060	0.000	1	107.9060	0.000	1	107.6134	4.518	5	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[6]N[6]H)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CC[6a]O)	C(C[6]C[6]N[6]H)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CC[6a]O)	106.1200	0.000	1	106.1200	0.000	1	107.6134	4.518	5	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CCO)	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CCO)	110.6060	0.000	1	110.6060	0.000	1	107.6134	4.518	5	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CC[6a]O)	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CC[6a]O)	108.3290	0.000	1	108.3290	0.000	1	107.6134	4.518	5	107.3863	3.517	455	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CC[3]O)(CCCH)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CC[3]O)(CCCH)	106.0140	0.000	1	106.0140	0.000	1	107.0443	4.262	16	107.0902	4.031	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CC[6a]O)(CCCH)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CC[6a]O)(CCCH)	109.0335	1.221	6	109.0335	1.491	6	107.0443	4.262	16	107.0902	4.031	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	O(CC[3]O)(CCCH)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	O(CC[3]O)(CCCH)	106.3660	0.000	1	106.3660	0.000	1	107.0443	4.262	16	107.0902	4.031	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OSi)(H)2	O(CC[6a]O)(CCCH)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OSi)(H)2	O(CC[6a]O)(CCCH)	106.2530	0.000	1	106.2530	0.000	1	107.0443	4.262	16	107.0902	4.031	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CC[6a]HH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CC[6a]O)(CCCH)	C(CC[6a]HH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CC[6a]O)(CCCH)	107.5790	0.000	1	107.5790	0.000	1	107.0443	4.262	16	107.0902	4.031	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CC[6a]C)(CCCH)	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CC[6a]C)(CCCH)	106.7940	0.000	1	106.7940	0.000	1	107.0443	4.262	16	107.0902	4.031	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(CH3)(OC)(H)	C(CCHO)(OC)(H)2	O(CC[5]O)(CCCH)	C(CHHO)(CH3)(OC)(H)	C(CCHO)(OC)(H)2	O(CC[5]O)(CCCH)	105.4830	0.000	1	105.4830	0.000	1	107.0443	4.262	16	107.0902	4.031	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(CH3)(OC)(H)	C(CCHO)(OC)(H)2	O(CC[6a]O)(CCCH)	C(CHHO)(CH3)(OC)(H)	C(CCHO)(OC)(H)2	O(CC[6a]O)(CCCH)	105.0045	1.928	4	105.0045	3.718	4	107.0443	4.262	16	107.0902	4.031	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C-3:C-4:	C(CClHH)(CHHS)(OC)(H)	C(CCHO)(SC)(H)2	O(CC[6a]O)(CCCH)	C(CClHH)(CHHS)(OC)(H)	C(CCHO)(SC)(H)2	O(CC[6a]O)(CCCH)	107.8250	0.000	1	107.8250	0.000	1	107.8250	0.000	1	107.0902	4.031	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	O(CCCH)(CCO)	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	O(CCCH)(CCO)	105.7920	0.000	1	105.7920	0.000	1	109.1237	5.707	31	109.1060	4.688	44	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CCCO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCO)	C(CCCO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCO)	105.9080	0.000	1	105.9080	0.000	1	109.1237	5.707	31	109.1060	4.688	44	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CCFF)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCO)	C(CCFF)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCO)	108.7500	0.000	1	108.7500	0.000	1	109.1237	5.707	31	109.1060	4.688	44	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCO)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCO)	109.9920	2.252	17	109.9920	5.073	17	109.1237	5.707	31	109.1060	4.688	44	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CHO)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CHO)	109.6665	1.090	2	109.6665	1.187	2	109.1237	5.707	31	109.1060	4.688	44	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CC[3]CH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CHH)	C(CC[3]CH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CHH)	111.7550	0.000	1	111.7550	0.000	1	109.1237	5.707	31	109.1060	4.688	44	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CC[4]HO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCO)	C(CC[4]HO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCO)	106.1840	0.000	1	106.1840	0.000	1	109.1237	5.707	31	109.1060	4.688	44	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CC[6]HO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCO)	C(CC[6]HO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCO)	107.8929	2.148	7	107.8929	4.614	7	109.1237	5.707	31	109.1060	4.688	44	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C[3,5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(C[3,5]C[3,5]C[3]C[5])(CHHO)(OC)(H)	C(CC[3,5]HO)(OC)(H)2	O(CC[3,5]CH)(CC[6a]O)	C(C[3,5]C[3,5]C[3]C[5])(CHHO)(OC)(H)	C(CC[3,5]HO)(OC)(H)2	O(CC[3,5]CH)(CC[6a]O)	106.4660	0.000	1	106.4660	0.000	1	106.4660	0.000	1	109.1060	4.688	44	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CHHO)(OC)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]2H)(CHHO)(OC)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(CC[6a]O)	108.6200	0.000	1	108.6200	0.000	1	109.2325	2.535	10	109.1060	4.688	44	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(CCO)	109.3560	1.926	7	109.3560	3.711	7	109.2325	2.535	10	109.1060	4.688	44	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(CHO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(CHO)	108.9850	0.000	1	108.9850	0.000	1	109.2325	2.535	10	109.1060	4.688	44	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(CC[6a]O)	109.2280	0.000	1	109.2280	0.000	1	109.2325	2.535	10	109.1060	4.688	44	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C(CC[6]HO)(OC)(H)2	O(CC[6]CH)(CCO)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C(CC[6]HO)(OC)(H)2	O(CC[6]CH)(CCO)	109.7430	0.000	1	109.7430	0.000	1	109.5180	0.101	2	109.1060	4.688	44	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C(CC[6]HO)(OSi)(H)2	O(CC[6]CH)(CC[6a]O)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C(CC[6]HO)(OSi)(H)2	O(CC[6]CH)(CC[6a]O)	109.2930	0.000	1	109.2930	0.000	1	109.5180	0.101	2	109.1060	4.688	44	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:2:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-2:O-2:H-1:	C-4:C-3:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CC)(OH)(H)	O(CCCH)(CCO)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CC)(OH)(H)	O(CCCH)(CCO)	103.2180	0.000	1	103.2180	0.000	1	103.2180	0.000	1	103.2180	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCO)(H)2	O(CC[6a]O)(CCCH)	107.3875	0.776	2	107.3875	0.602	2	106.6327	3.658	18	106.8367	3.316	26	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCH)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCH)(H)2	O(CC[6a]O)(CCCH)	106.3892	1.760	9	106.3892	3.098	9	106.6327	3.658	18	106.8367	3.316	26	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(COO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(COO)(H)2	O(CC[6a]O)(CCCH)	105.2260	0.047	2	105.2260	0.002	2	106.6327	3.658	18	106.8367	3.316	26	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:	C(CCHH)2(OC)(H)	C(CCHO)(CCH)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)2(OC)(H)	C(CCHO)(CCH)(H)2	O(CC[6a]O)(CCCH)	107.3318	2.679	5	107.3318	7.179	5	106.6327	3.658	18	106.8367	3.316	26	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:	C(CCFH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	O(CC[6a]O)(CCCH)	C(CCFH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	O(CC[6a]O)(CCCH)	107.9915	0.374	4	107.9915	0.140	4	107.9915	0.140	4	106.8367	3.316	26	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-3:C-4:	C(CHHS)2(OC)(H)	C(CCHO)(SFe2)(H)2	O(CC[5a]O)(CCCH)	C(CHHS)2(OC)(H)	C(CCHO)(SFe2)(H)2	O(CC[5a]O)(CCCH)	106.6855	2.894	2	106.6855	8.376	2	106.5995	4.660	4	106.8367	3.316	26	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-3:C-4:	C(CHHS)2(OC)(H)	C(CCHO)(SFe2)(H)2	O(CC[6a]O)(CCCH)	C(CHHS)2(OC)(H)	C(CCHO)(SFe2)(H)2	O(CC[6a]O)(CCCH)	106.5135	2.361	2	106.5135	5.574	2	106.5995	4.660	4	106.8367	3.316	26	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:2:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:N-2:	C(CCHH)2(ON)(H)	C(CCHO)(CCC)(H)2	O(CCCH)(NC)	C(CCHH)2(ON)(H)	C(CCHO)(CCC)(H)2	O(CCCH)(NC)	105.7020	0.000	1	105.7020	0.000	1	108.2560	13.046	2	108.2560	13.046	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:2:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:N-2:	C(CCHH)2(ON)(H)	C(CCHO)(CNO)(H)2	O(CCCH)(NC)	C(CCHH)2(ON)(H)	C(CCHO)(CNO)(H)2	O(CCCH)(NC)	110.8100	0.000	1	110.8100	0.000	1	108.2560	13.046	2	108.2560	13.046	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCC)(H)2	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCC)(H)2	O(CCCH)(CCO)	103.3860	0.000	1	103.3860	0.000	1	106.5333	3.866	19	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(CCO)	107.8612	2.315	4	107.8612	5.359	4	106.5333	3.866	19	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CNO)(H)2	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CNO)(H)2	O(CCCH)(CCO)	104.7650	0.000	1	104.7650	0.000	1	106.5333	3.866	19	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(CCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(CCO)	109.7330	0.000	1	109.7330	0.000	1	106.5333	3.866	19	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(CCO)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(CCO)	105.7378	0.947	4	105.7378	0.897	4	106.5333	3.866	19	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(COO)(H)2	O(CCCH)(CCO)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(COO)(H)2	O(CCCH)(CCO)	104.6917	0.387	3	104.6917	0.150	3	106.5333	3.866	19	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)(CHHN)(OC)(H)	C(CCHO)(COO)(H)2	O(CCCH)(CCO)	C(CCHH)(CHHN)(OC)(H)	C(CCHO)(COO)(H)2	O(CCCH)(CCO)	107.4000	0.279	2	107.4000	0.078	2	106.5333	3.866	19	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)2(OC)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(CCO)	C(CCHH)2(OC)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(CCO)	108.2530	0.000	2	108.2530	0.000	2	106.5333	3.866	19	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)2(OC)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(CCO)	C(CCHH)2(OC)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(CCO)	106.4720	0.000	1	106.4720	0.000	1	106.5333	3.866	19	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(NCS)(H)2	O(CCCH)(CCC)	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(NCS)(H)2	O(CCCH)(CCC)	104.7495	0.384	2	104.7495	0.147	2	106.8742	7.140	4	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(CCO)	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(CCO)	110.2670	0.000	1	110.2670	0.000	1	106.8742	7.140	4	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(CCO)	C(CC[5]HH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(CCO)	107.7310	0.000	1	107.7310	0.000	1	106.8742	7.140	4	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-4:C-3:	C(CHHS)2(OC)(H)	C(CCHO)(SFe2)(H)2	O(CCCH)(CCO)	C(CHHS)2(OC)(H)	C(CCHO)(SFe2)(H)2	O(CCCH)(CCO)	106.2170	2.446	9	106.2170	5.981	9	106.2170	5.981	9	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C(CC[5]HO)(CCC)(H)2	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C(CC[5]HO)(CCC)(H)2	O(CC[5]CH)(CCO)	109.8235	1.846	4	109.8235	3.406	4	108.9281	2.733	10	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C(CC[5]HO)(CC[5]C)(H)2	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C(CC[5]HO)(CC[5]C)(H)2	O(CC[5]CH)(CCO)	107.8932	0.906	5	107.8932	0.820	5	108.9281	2.733	10	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C(CC[5]HO)(CC[6]C)(H)2	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C(CC[5]HO)(CC[6]C)(H)2	O(CC[5]CH)(CCO)	110.5210	0.000	1	110.5210	0.000	1	108.9281	2.733	10	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(C[6]C[5,6,6]C[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCC)(H)2	O(CC[6]CH)(CCO)	C(C[6]C[5,6,6]C[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCC)(H)2	O(CC[6]CH)(CCO)	107.9235	1.381	2	107.9235	1.907	2	107.6855	1.218	4	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	C(CC[6]HO)(COO)(H)2	O(CC[6]CH)(CCO)	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	C(CC[6]HO)(COO)(H)2	O(CC[6]CH)(CCO)	106.5760	0.000	1	106.5760	0.000	1	107.6855	1.218	4	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCH)(H)2	O(CC[6]CH)(CCO)	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCH)(H)2	O(CC[6]CH)(CCO)	108.3190	0.000	1	108.3190	0.000	1	107.6855	1.218	4	107.1219	4.782	46	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	106.2960	1.009	3	106.2960	1.017	3	105.6347	1.282	6	105.6347	1.282	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OC)(H)	O(CC[5,5,6]O)(CCCH)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OC)(H)	O(CC[5,5,6]O)(CCCH)	105.9570	0.000	1	105.9570	0.000	1	105.6347	1.282	6	105.6347	1.282	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OH)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OH)(H)	O(CC[6a]O)(CCCH)	104.4815	0.548	2	104.4815	0.300	2	105.6347	1.282	6	105.6347	1.282	6	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCO)	102.7620	0.000	1	102.7620	0.000	1	107.1656	7.221	16	107.3158	6.563	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(CCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(CCO)	103.9710	0.000	1	103.9710	0.000	1	107.1656	7.221	16	107.3158	6.563	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCO)	105.8565	0.459	2	105.8565	0.211	2	107.1656	7.221	16	107.3158	6.563	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(CCO)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(CCO)	107.3960	1.346	3	107.3960	1.811	3	107.1656	7.221	16	107.3158	6.563	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CCHO)2(OC)(H)	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CCO)	106.6478	1.779	5	106.6478	3.164	5	107.1656	7.221	16	107.3158	6.563	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCC)	C(CCHO)2(OC)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCC)	113.8760	0.000	1	113.8760	0.000	1	107.1656	7.221	16	107.3158	6.563	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)2(OC)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCO)	109.8170	0.000	1	109.8170	0.000	1	107.1656	7.221	16	107.3158	6.563	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CCHO)(CCN)(OC)(H)	O(CCCH)(CCO)	C(CCHO)2(OC)(H)	C(CCHO)(CCN)(OC)(H)	O(CCCH)(CCO)	109.3930	0.000	1	109.3930	0.000	1	107.1656	7.221	16	107.3158	6.563	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CCHO)(COO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)2(OC)(H)	C(CCHO)(COO)(OC)(H)	O(CCCH)(CCO)	107.6900	0.000	1	107.6900	0.000	1	107.1656	7.221	16	107.3158	6.563	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CCH)(OC)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CCH)(OC)(H)	O(CC[6]CH)(CCO)	108.5180	0.066	2	108.5180	0.004	2	108.5180	0.004	2	107.3158	6.563	18	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:3:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:	C(CCHN)(CH3)(OC)(H)	C(CCHO)(CNO)(NCH)(H)	O(CCCH)(CCO)	C(CCHN)(CH3)(OC)(H)	C(CCHO)(CNO)(NCH)(H)	O(CCCH)(CCO)	104.6645	1.597	2	104.6645	2.552	2	105.8360	4.258	4	105.8360	4.258	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:3:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:	C(CCHN)(CH3)(OC)(H)	C(CCHO)(COO)(NCH)(H)	O(CCCH)(CCO)	C(CCHN)(CH3)(OC)(H)	C(CCHO)(COO)(NCH)(H)	O(CCCH)(CCO)	107.0075	2.176	2	107.0075	4.734	2	105.8360	4.258	4	105.8360	4.258	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:4:1:	3:4:	C-4:C-4:O-2:H-1:	C[3]-4:C-3:C-4:H-1:	C-3:C-4:	C(CC[3]CH)(CC[5]CH)(OC)(H)	C(C[3]C[3]2H)(CC[5]O)(CCHO)(H)	O(CC[6a]O)(CCCH)	C(CC[3]CH)(CC[5]CH)(OC)(H)	C(C[3]C[3]2H)(CC[5]O)(CCHO)(H)	O(CC[6a]O)(CCCH)	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:3:4:1:	4:3:	C-4:C-4:O-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:	C(CC[6a]C[5]H)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	O(CCCH)(CCO)	C(CC[6a]C[5]H)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	O(CCCH)(CCO)	105.7700	0.000	1	105.7700	0.000	1	105.7700	0.000	1	105.7700	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-3:C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	O(CC[6a]O)(CCCH)	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	O(CC[6a]O)(CCCH)	104.3655	0.233	2	104.3655	0.054	2	104.3655	0.054	2	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	C-3:C-4:	C(CCFH)(CHHN)(OC)(H)	C(CCHH)(CCHO)(F)(H)	O(CC[6a]O)(CCCH)	C(CCFH)(CHHN)(OC)(H)	C(CCHH)(CCHO)(F)(H)	O(CC[6a]O)(CCCH)	107.9290	1.284	4	107.9290	1.649	4	107.9290	1.649	4	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CC[3]HH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CBrCH)(CCHH)(OC)(H)	C(CC[3]HH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	109.1275	0.513	2	109.1275	0.263	2	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CBrHS)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCCH)(CCHH)(OC)(H)	C(CBrHS)(CCHO)(H)2	O(CC[6a]O)(CCCH)	105.5680	0.000	1	105.5680	0.000	1	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	107.6170	2.640	3	107.6170	6.968	3	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	108.5925	1.851	4	108.5925	3.426	4	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(H)2	O(CC[5,5,6]O)(CCCH)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(H)2	O(CC[5,5,6]O)(CCCH)	106.8820	0.000	1	106.8820	0.000	1	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CN[5]HH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCCH)(CCHH)(OC)(H)	C(CN[5]HH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	106.4970	0.000	1	106.4970	0.000	1	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CC3)(OC)(H)	C(CBrHS)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CC3)(OC)(H)	C(CBrHS)(CCHO)(H)2	O(CC[6a]O)(CCCH)	107.3730	0.354	2	107.3730	0.125	2	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	106.5097	0.703	3	106.5097	0.495	3	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	108.7226	0.710	5	108.7226	0.505	5	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(H)2	O(CC[6a]O)(CCCH)	111.2060	0.000	1	111.2060	0.000	1	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(H)2	O(CC[6a]O)(CCCH)	106.5675	2.313	2	106.5675	5.350	2	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	105.1377	1.200	12	105.1377	1.440	12	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	O(CC[3]O)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	O(CC[3]O)(CCCH)	105.2333	3.667	3	105.2333	13.444	3	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	O(CC[4,4,6]O)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	O(CC[4,4,6]O)(CCCH)	106.7220	1.948	4	106.7220	3.793	4	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	O(CC[6a]O)(CCCH)	106.0232	1.256	5	106.0232	1.579	5	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)(OC)(H)	C(CC[5]HH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CC[5]HH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	109.2400	0.000	1	109.2400	0.000	1	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)(OC)(H)	C(CC[6a]SiO)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CC[6a]SiO)(CCHO)(H)2	O(CC[6a]O)(CCCH)	108.5170	0.000	1	108.5170	0.000	1	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)(OC)(H)	C(CClCH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CClCH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	104.3660	0.000	1	104.3660	0.000	1	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)2(OC)(H)	C(CCCH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)2(OC)(H)	C(CCCH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	105.9518	1.433	6	105.9518	2.052	6	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	106.9880	2.185	17	106.9880	4.773	17	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)2(OC)(H)	C(CCHO)2(H)2	O(CC[6a]O)(CCCH)	C(CCHH)2(OC)(H)	C(CCHO)2(H)2	O(CC[6a]O)(CCCH)	109.1900	2.108	8	109.1900	4.444	8	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[5]CH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CC[5]CH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	106.0640	0.000	1	106.0640	0.000	1	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]CH)(CCHH)(OC)(H)	C(CCCO)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CC[6a]CH)(CCHH)(OC)(H)	C(CCCO)(CCHO)(H)2	O(CC[6a]O)(CCCH)	106.3940	0.000	1	106.3940	0.000	1	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CClHH)(CCHH)(OC)(H)	C(CC[6a]SiH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CClHH)(CCHH)(OC)(H)	C(CC[6a]SiH)(CCHO)(H)2	O(CC[6a]O)(CCCH)	108.1190	0.000	1	108.1190	0.000	1	106.9969	4.535	86	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[3]HH)(CCHO)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CC[3]HH)(CCHO)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	O(CC[6a]O)(CCCH)	109.0215	1.923	2	109.0215	3.696	2	107.4530	4.598	4	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[3]HH)(CH3)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CC[3]HH)(CH3)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	O(CC[6a]O)(CCCH)	105.5270	0.000	1	105.5270	0.000	1	107.4530	4.598	4	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[3]HH)(CH3)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CC[3]HH)(CH3)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	O(CC[6a]O)(CCCH)	106.2420	0.000	1	106.2420	0.000	1	107.4530	4.598	4	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[5,5]HH)(CCCH)(OC)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CC[5,5]HH)(CCCH)(OC)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(CCHO)(H)2	O(CC[6a]O)(CCCH)	104.7140	0.000	1	104.7140	0.000	1	104.7140	0.000	1	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[5]HH)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CC[5]HH)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CC[6a]O)(CCCH)	106.2950	0.000	1	106.2950	0.000	1	107.4195	2.529	2	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[5]HH)(CH3)(OC)(H)	C(C[5]C[6a]C[5]2)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CC[5]HH)(CH3)(OC)(H)	C(C[5]C[6a]C[5]2)(CCHO)(H)2	O(CC[6a]O)(CCCH)	108.5440	0.000	1	108.5440	0.000	1	107.4195	2.529	2	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[6]HH)(CCHO)(OC)(H)	C(C[6]S[6]2H)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CC[6]HH)(CCHO)(OC)(H)	C(C[6]S[6]2H)(CCHO)(H)2	O(CC[6a]O)(CCCH)	109.4080	0.000	1	109.4080	0.000	1	107.8935	4.587	2	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:	C(CC[6]HH)(CH3)(OC)(H)	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	O(CC[6a]O)(CCCH)	C(CC[6]HH)(CH3)(OC)(H)	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	O(CC[6a]O)(CCCH)	106.3790	0.000	1	106.3790	0.000	1	107.8935	4.587	2	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	S-4:C-4:H-1:H-1:	C-3:C-4:	C(CHHS)(CC3)(OC)(H)	C(SC[6]OO)(CCHO)(H)2	O(CC[6]O)(CCCH)	C(CHHS)(CC3)(OC)(H)	C(SC[6]OO)(CCHO)(H)2	O(CC[6]O)(CCCH)	108.0644	3.587	5	108.0644	12.869	5	107.9125	8.932	8	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:O-2:H-1:	S-4:C-4:H-1:H-1:	C-3:C-4:	C(CHHS)(CH3)(OC)(H)	C(SC[6]OO)(CCHO)(H)2	O(CC[6]O)(CCCH)	C(CHHS)(CH3)(OC)(H)	C(SC[6]OO)(CCHO)(H)2	O(CC[6]O)(CCCH)	107.6593	2.318	3	107.6593	5.371	3	107.9125	8.932	8	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C[3,6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(C[3,6]C[3,6]C[3]C[6])(CCHH)(OC)(H)	C(CC[3,6]HO)(CH3)(H)2	O(CC[5,5,6]O)(CC[3,6]CH)	C(C[3,6]C[3,6]C[3]C[6])(CCHH)(OC)(H)	C(CC[3,6]HO)(CH3)(H)2	O(CC[5,5,6]O)(CC[3,6]CH)	107.2390	0.000	1	107.2390	0.000	1	107.2390	0.000	1	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	3:4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(C[3]C[3]2H)(CCHH)(OC)(H)	C(CC[3]HO)(CH3)(H)2	O(CC[5,5,6]O)(CC[3]CH)	C(C[3]C[3]2H)(CCHH)(OC)(H)	C(CC[3]HO)(CH3)(H)2	O(CC[5,5,6]O)(CC[3]CH)	108.3480	0.092	3	108.3480	0.008	3	108.3480	0.008	3	107.1055	4.555	113	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:2:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:N-2:	C(CC[4]HH)(CH3)(ON)(H)	C(C[4]C[4]2O)(CCHO)(H)2	O(CCCH)(NC)	C(CC[4]HH)(CH3)(ON)(H)	C(C[4]C[4]2O)(CCHO)(H)2	O(CCCH)(NC)	112.3880	0.000	1	112.3880	0.000	1	112.3880	0.000	1	112.3880	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-3:	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	O(CCCH)(CCO)	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	O(CCCH)(CCO)	101.6010	0.000	1	101.6010	0.000	1	101.6010	0.000	1	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-3:	C(CClCH)2(OC)(H)	C(CCHH)(CCHO)(Cl)(H)	O(CCCH)(CNO)	C(CClCH)2(OC)(H)	C(CCHH)(CCHO)(Cl)(H)	O(CCCH)(CNO)	108.4880	0.086	2	108.4880	0.007	2	108.2770	0.164	4	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-3:	C(CClCH)2(OC)(H)	C(CCHO)(CHHO)(Cl)(H)	O(CCCH)(CNO)	C(CClCH)2(OC)(H)	C(CCHO)(CHHO)(Cl)(H)	O(CCCH)(CNO)	108.0660	0.554	2	108.0660	0.307	2	108.2770	0.164	4	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:C-3:	C(CCFF)(CCHO)(OC)(H)	C(CCHO)2(F)2	O(CCCH)(CNO)	C(CCFF)(CCHO)(OC)(H)	C(CCHO)2(F)2	O(CCCH)(CNO)	102.5440	0.000	1	102.5440	0.000	1	105.9393	8.947	3	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:C-3:	C(CCFF)(CHHO)(OC)(H)	C(CCHO)2(F)2	O(CCCH)(CCO)	C(CCFF)(CHHO)(OC)(H)	C(CCHO)2(F)2	O(CCCH)(CCO)	107.0890	0.000	1	107.0890	0.000	1	105.9393	8.947	3	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:C-3:	C(CC[6a]HO)(CCFF)(OC)(H)	C(CCHO)2(F)2	O(CCCH)(CCO)	C(CC[6a]HO)(CCFF)(OC)(H)	C(CCHO)2(F)2	O(CCCH)(CCO)	108.1850	0.000	1	108.1850	0.000	1	105.9393	8.947	3	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CBrCC)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CBrCC)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	109.7680	0.000	1	109.7680	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CBrCH)(CCHH)(OC)(H)	C(CClCH)(CCHO)(H)2	O(CCCH)(CCO)	C(CBrCH)(CCHH)(OC)(H)	C(CClCH)(CCHO)(H)2	O(CCCH)(CCO)	106.3820	0.000	1	106.3820	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CBrHH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CBrHH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	111.7320	0.000	1	111.7320	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	107.0537	1.692	7	107.0537	2.863	7	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(CCO)	107.1782	1.507	4	107.1782	2.270	4	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CCO)	108.3210	0.000	1	108.3210	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CC[6a]HH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CC[6a]HH)(CCHO)(H)2	O(CCCH)(CCO)	109.7070	0.000	1	109.7070	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	108.0147	2.349	3	108.0147	5.520	3	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCCO)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(CCO)	C(CCCO)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(CCO)	107.1130	0.000	1	107.1130	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCCO)(CCHH)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCCO)(CCHH)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(CCO)	104.2395	1.949	2	104.2395	3.801	2	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CC3)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)(CC3)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(CCO)	107.4970	0.974	4	107.4970	0.949	4	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CC3)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)(CC3)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	100.1220	0.000	1	100.1220	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CC3)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CCO)	C(CCHH)(CC3)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CCO)	105.1670	0.040	2	105.1670	0.002	2	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CCHI)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)(CCHI)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	107.9160	0.000	1	107.9160	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	107.8120	0.512	2	107.8120	0.262	2	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	107.4410	1.297	6	107.4410	1.682	6	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CCO)	110.4760	0.000	1	110.4760	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CCHO)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)(CCHO)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(CCO)	104.9450	0.000	1	104.9450	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	107.4630	2.254	20	107.4630	5.081	20	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(CCO)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(CCO)	106.1337	0.196	3	106.1337	0.039	3	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CCO)	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CCO)	107.6605	2.276	6	107.6605	5.181	6	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CH3)(OC)(H)	C(CC[5a]HH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)(CH3)(OC)(H)	C(CC[5a]HH)(CCHO)(H)2	O(CCCH)(CCO)	106.9030	0.000	1	106.9030	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)2(OC)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)2(OC)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(CCO)	104.3180	0.000	2	104.3180	0.000	2	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	107.1886	2.054	9	107.1886	4.218	9	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)2(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(CCO)	C(CCHH)2(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(CCO)	106.6460	0.000	1	106.6460	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)2(OC)(H)	C(CC[5]HO)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)2(OC)(H)	C(CC[5]HO)(CCHO)(H)2	O(CCCH)(CCO)	106.1940	0.000	1	106.1940	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)2(OC)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(CCO)	C(CCHH)2(OC)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(CCO)	109.2150	0.000	1	109.2150	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[4]CC)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(CCO)	C(CC[4]CC)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(CCO)	105.0530	0.000	1	105.0530	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[5]HO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	108.2220	0.000	1	108.2220	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[6]CH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[6]CH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	108.9650	0.000	1	108.9650	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[6]CN)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(CCO)	C(CC[6]CN)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(CCO)	108.8750	0.000	1	108.8750	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[6]CO)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(CCO)	C(CC[6]CO)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(CCO)	108.1460	0.000	1	108.1460	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[6]HH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[6]HH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	107.3960	0.000	1	107.3960	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]CH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[6a]CH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCO)	111.4830	0.000	1	111.4830	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(CCHH)(OC)(H)	C(CCHN)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[6a]HH)(CCHH)(OC)(H)	C(CCHN)(CCHO)(H)2	O(CCCH)(CCO)	105.9000	0.000	1	105.9000	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CSiHH)(CCHH)(OC)(H)	C(CCHO)(CC3)(H)2	O(CCCH)(CCO)	C(CSiHH)(CCHH)(OC)(H)	C(CCHO)(CC3)(H)2	O(CCCH)(CCO)	103.7650	0.000	1	103.7650	0.000	1	107.2194	4.459	93	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:I-1:	C-4:C-3:	C(CCHH)(CCHI)(OC)(H)	C(CCHN)(CCHO)(H)(I)	O(CCCH)(CCO)	C(CCHH)(CCHI)(OC)(H)	C(CCHN)(CCHO)(H)(I)	O(CCCH)(CCO)	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CHHN)(OC)(H)	C(CCHO)(NC3)(H)2	O(CCCH)(CCO)	C(CCHH)(CHHN)(OC)(H)	C(CCHO)(NC3)(H)2	O(CCCH)(CCO)	110.1040	1.392	2	110.1040	1.937	2	108.9603	6.168	4	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:	C(CHHN)(CH3)(OC)(H)	C(CCHO)(NC3)(H)2	O(CCCH)(CNO)	C(CHHN)(CH3)(OC)(H)	C(CCHO)(NC3)(H)2	O(CCCH)(CNO)	110.1970	0.000	1	110.1970	0.000	1	108.9603	6.168	4	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NCHH)(H)2	O(CCCH)(CCO)	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NCHH)(H)2	O(CCCH)(CCO)	105.4360	0.000	1	105.4360	0.000	1	108.9603	6.168	4	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:S-4:H-1:H-1:	C-4:C-3:	C(CHHS)(CC3)(OC)(H)	C(CCHO)(SCOO)(H)2	O(CCCH)(CCO)	C(CHHS)(CC3)(OC)(H)	C(CCHO)(SCOO)(H)2	O(CCCH)(CCO)	105.8970	0.000	1	105.8970	0.000	1	105.8970	0.000	1	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[3]HH)(CCCH)(OC)(H)	C(C[3]C[3]O[3]C)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[3]HH)(CCCH)(OC)(H)	C(C[3]C[3]O[3]C)(CCHO)(H)2	O(CCCH)(CCO)	107.6140	1.730	2	107.6140	2.991	2	107.6140	2.991	2	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[5]HH)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)(CCO)	107.6950	0.000	1	107.6950	0.000	1	106.3243	1.405	8	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[5]HH)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)(CCO)	105.7530	0.237	4	105.7530	0.056	4	106.3243	1.405	8	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(CHHN)(OC)(H)	C(C[5]C[5,5]C[5]N)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[5]HH)(CHHN)(OC)(H)	C(C[5]C[5,5]C[5]N)(CCHO)(H)2	O(CCCH)(CCO)	108.4760	0.000	1	108.4760	0.000	1	106.3243	1.405	8	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)2(OC)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[5]HH)2(OC)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	O(CCCH)(CCO)	106.4430	0.000	1	106.4430	0.000	1	106.3243	1.405	8	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)2(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[5]HH)2(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)(CCO)	104.9680	0.000	1	104.9680	0.000	1	106.3243	1.405	8	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[6]HH)(CCHH)(OC)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	O(CCCH)(CCO)	C(CC[6]HH)(CCHH)(OC)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	O(CCCH)(CCO)	107.1740	0.000	1	107.1740	0.000	1	107.1740	0.000	1	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:O-2:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-3:	C(CSiHH)(CCHH)(OC)(H)	C(SiCCO)(CCHO)(H)2	O(CCCH)(CCO)	C(CSiHH)(CCHH)(OC)(H)	C(SiCCO)(CCHO)(H)2	O(CCCH)(CCO)	107.5530	0.000	1	107.5530	0.000	1	107.5530	0.000	1	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5,6,6]HH)(C[5]C[5]2O)(OC)(H)	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	O(CC[5]CH)(CCO)	C(CC[5,6,6]HH)(C[5]C[5]2O)(OC)(H)	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	O(CC[5]CH)(CCO)	105.2460	0.000	1	105.2460	0.000	1	105.2460	0.000	1	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[3,5,6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(OC)(H)	C(CC[3,5,6]HO)(CH3)(H)2	O(CC[3,5,6]CH)(CC[6a]O)	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(OC)(H)	C(CC[3,5,6]HO)(CH3)(H)2	O(CC[3,5,6]CH)(CC[6a]O)	104.5150	0.000	1	104.5150	0.000	1	104.5150	0.000	1	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[3,5]-4:C-4:O-2:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-3:	C(C[3,5]C[3,5]C[5]O[3])(CC[4]HH)(OC)(H)	C(C[4]C[4]2H)(CC[3,5]HO)(H)2	O(CC[3,5]CH)(CCO)	C(C[3,5]C[3,5]C[5]O[3])(CC[4]HH)(OC)(H)	C(C[4]C[4]2H)(CC[3,5]HO)(H)2	O(CC[3,5]CH)(CCO)	112.4890	0.000	1	112.4890	0.000	1	112.4890	0.000	1	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	C(CC[3]HO)(CCHH)(H)2	O(CC[3]CH)(CC[6a]O)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	C(CC[3]HO)(CCHH)(H)2	O(CC[3]CH)(CC[6a]O)	110.2910	0.000	1	110.2910	0.000	1	108.0807	3.902	3	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	C(CC[3]HO)(CC[5]CH)(H)2	O(CC[3]CH)(CCO)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	C(CC[3]HO)(CC[5]CH)(H)2	O(CC[3]CH)(CCO)	106.9755	0.689	2	106.9755	0.475	2	108.0807	3.902	3	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[3]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:	C(C[3]C[3]2H)(CC[5]HH)(OC)(H)	C(C[5]O[5]2C)(CC[3]HO)(H)2	O(CC[3]CH)(CC[6a]O)	C(C[3]C[3]2H)(CC[5]HH)(OC)(H)	C(C[5]O[5]2C)(CC[3]HO)(H)2	O(CC[3]CH)(CC[6a]O)	105.9890	0.000	1	105.9890	0.000	1	108.1215	9.095	2	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[3]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:	C(C[3]C[3]O[3]C)(CC[5]HH)(OC)(H)	C(C[5]C[5]2H)(CC[3]HO)(H)2	O(CC[3]CH)(CCO)	C(C[3]C[3]O[3]C)(CC[5]HH)(OC)(H)	C(C[5]C[5]2H)(CC[3]HO)(H)2	O(CC[3]CH)(CCO)	110.2540	0.000	1	110.2540	0.000	1	108.1215	9.095	2	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[3]-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:	C(C[3]C[3]2H)(CC[6]HH)(OC)(H)	C(C[6]C[6]O[6]H)(CC[3]HO)(H)2	O(CC[3]CH)(CCO)	C(C[3]C[3]2H)(CC[6]HH)(OC)(H)	C(C[6]C[6]O[6]H)(CC[3]HO)(H)2	O(CC[3]CH)(CCO)	107.9200	1.338	2	107.9200	1.790	2	107.9200	1.790	2	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[4,5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(OC)(H)	C(CC[4,5]HO)(CC[5]CO)(H)2	O(CC[4,5]CH)(CCO)	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(OC)(H)	C(CC[4,5]HO)(CC[5]CO)(H)2	O(CC[4,5]CH)(CCO)	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[4,5]-4:C-4:O-2:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:	C(C[4,5]C[4,5]C[4]O[5])(CC[5,6]HH)(OC)(H)	C(C[5,6]C[5,5,6]O[5,6]C)(CC[4,5]HO)(H)2	O(CC[4,5]CH)(CCO)	C(C[4,5]C[4,5]C[4]O[5])(CC[5,6]HH)(OC)(H)	C(C[5,6]C[5,5,6]O[5,6]C)(CC[4,5]HO)(H)2	O(CC[4,5]CH)(CCO)	106.4075	0.223	2	106.4075	0.050	2	106.4075	0.050	2	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5]-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:	C(C[5,5]C[5,5]C[5]O[5])(CC[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]H)(CC[5,5]HO)(H)2	O(CC[5,5]CH)(CCO)	C(C[5,5]C[5,5]C[5]O[5])(CC[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]H)(CC[5,5]HO)(H)2	O(CC[5,5]CH)(CCO)	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(CC[6a]O)	108.5720	0.000	1	108.5720	0.000	1	107.7286	2.860	10	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(CC[5]HO)(CH3)(H)2	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(CC[5]HO)(CH3)(H)2	O(CC[5]CH)(CCO)	106.3225	0.286	2	106.3225	0.082	2	107.7286	2.860	10	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(CC[5]HO)(CHHO)(H)2	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(CC[5]HO)(CHHO)(H)2	O(CC[5]CH)(CCO)	107.6210	0.000	1	107.6210	0.000	1	107.7286	2.860	10	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(CCO)	109.9090	0.229	2	109.9090	0.052	2	107.7286	2.860	10	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(CC[6a]O)	106.9625	2.688	2	106.9625	7.224	2	107.7286	2.860	10	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CCHO)(H)2	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CCHO)(H)2	O(CC[5]CH)(CCO)	106.1820	0.000	1	106.1820	0.000	1	107.7286	2.860	10	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CH3)(H)2	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CH3)(H)2	O(CC[5]CH)(CC[6a]O)	108.5230	0.000	1	108.5230	0.000	1	107.7286	2.860	10	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	C(C[3]C[3]O[3]C)(CC[5]HO)(H)2	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	C(C[3]C[3]O[3]C)(CC[5]HO)(H)2	O(CC[5]CH)(CCO)	111.5365	1.599	2	111.5365	2.556	2	111.5365	2.556	2	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	O(CC[5]CH)(CCO)	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	O(CC[5]CH)(CCO)	107.0858	1.640	4	107.0858	2.691	4	107.0858	2.691	4	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	C(CC[5]HH)(CC[6]HO)(H)2	O(CC[6]CH)(CC[6a]O)	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	C(CC[5]HH)(CC[6]HO)(H)2	O(CC[6]CH)(CC[6a]O)	111.2890	0.000	1	111.2890	0.000	1	107.1836	5.342	9	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CC[6]HO)(CC3)(H)2	O(CC[6]CH)(CCO)	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CC[6]HO)(CC3)(H)2	O(CC[6]CH)(CCO)	105.8580	0.531	4	105.8580	0.282	4	107.1836	5.342	9	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CC[6]HO)(CC3)(H)2	O(CC[6]CH)(CNO)	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CC[6]HO)(CC3)(H)2	O(CC[6]CH)(CNO)	105.7885	1.071	2	105.7885	1.148	2	107.1836	5.342	9	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CC[6]HO)(CCCH)(H)2	O(CC[6]CH)(CCO)	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CC[6]HO)(CCCH)(H)2	O(CC[6]CH)(CCO)	107.5920	0.000	1	107.5920	0.000	1	107.1836	5.342	9	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6]C[6]2C)(CCHH)(OC)(H)	C(CC[6]HO)(CCHH)(H)2	O(CC[6]CH)(CC[6a]O)	C(C[6]C[6]2C)(CCHH)(OC)(H)	C(CC[6]HO)(CCHH)(H)2	O(CC[6]CH)(CC[6a]O)	110.7620	0.000	1	110.7620	0.000	1	107.1836	5.342	9	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	C(C[6]C[6]O[6]O)(CC[6]HO)(H)2	O(CC[6]CH)(CCO)	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	C(C[6]C[6]O[6]O)(CC[6]HO)(H)2	O(CC[6]CH)(CCO)	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:3:	P[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(P[5]N[5]2O)(CCHH)(OC)(H)	C(CP[5]HO)(CCCH)(H)2	O(CP[5]CH)(CCO)	C(P[5]N[5]2O)(CCHH)(OC)(H)	C(CP[5]HO)(CCCH)(H)2	O(CP[5]CH)(CCO)	109.3890	0.000	1	109.3890	0.000	1	109.3890	0.000	1	107.3663	4.648	160	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	105.8930	1.356	4	105.8930	1.837	4	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OH)(H)	O(CC[6a]O)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OH)(H)	O(CC[6a]O)(CCCH)	105.0640	0.000	1	105.0640	0.000	1	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]O)(CCCH)	106.3545	2.105	2	106.3545	4.431	2	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]O)(CCCH)	105.4530	0.000	1	105.4530	0.000	1	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CC[6a]HH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(CC[6a]HH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	104.8180	0.000	1	104.8180	0.000	1	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(CC3)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CC3)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]O)(CCCH)	109.0060	2.529	3	109.0060	6.397	3	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CHHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	104.8250	0.112	2	104.8250	0.012	2	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CC[5,5,6]O)(CCCH)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CC[5,5,6]O)(CCCH)	103.5595	0.540	2	103.5595	0.291	2	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]O)(CCCH)	106.8155	1.348	2	106.8155	1.818	2	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OH)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OH)(H)	O(CC[6a]O)(CCCH)	106.6885	1.968	2	106.6885	3.873	2	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HH)(CCHO)(OC)(H)	O(CC[3]O)(CCCH)	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HH)(CCHO)(OC)(H)	O(CC[3]O)(CCCH)	111.4990	0.926	2	111.4990	0.858	2	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CC[6]HH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CHHO)(OC)(H)	C(CC[6]HH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	106.2530	0.000	1	106.2530	0.000	1	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]O)(CCCH)	102.0580	0.000	1	102.0580	0.000	1	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)2(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)2(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]O)(CCCH)	107.3300	2.790	2	107.3300	7.785	2	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)2(OC)(H)	C(CC[5,5]HO)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)2(OC)(H)	C(CC[5,5]HO)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	106.7930	0.000	1	106.7930	0.000	1	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CC[3]HH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[3]HH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]O)(CCCH)	106.4440	4.206	2	106.4440	17.689	2	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CC[5,5]HO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[5,5]HO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]O)(CCCH)	108.7850	0.000	1	108.7850	0.000	1	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CC[5]HH)(CCHO)(OC)(H)	C(CC[5a]CH)(CCHO)(OH)(H)	O(CC[6a]O)(CCCH)	C(CC[5]HH)(CCHO)(OC)(H)	C(CC[5a]CH)(CCHO)(OH)(H)	O(CC[6a]O)(CCCH)	106.3600	0.000	1	106.3600	0.000	1	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CC[6]HH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[6]HH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]O)(CCCH)	104.7040	0.000	1	104.7040	0.000	1	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CC[6a]HH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[6a]HH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]O)(CCCH)	102.2320	0.000	1	102.2320	0.000	1	106.3679	6.310	33	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	3:4:	C-4:C-4:O-2:H-1:	C[5,5]-4:C-4:O-2:H-1:	C-3:C-4:	C(CC[5,5]HO)(CCHO)(OC)(H)	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	O(CC[6a]O)(CCCH)	C(CC[5,5]HO)(CCHO)(OC)(H)	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	O(CC[6a]O)(CCCH)	105.8110	0.000	1	105.8110	0.000	1	105.8110	0.000	1	106.3516	6.128	34	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:C-3:	C(CCHH)(CCHN)(OC)(H)	C(CCHO)2(NN)(H)	O(CCCH)(CCO)	C(CCHH)(CCHN)(OC)(H)	C(CCHO)2(NN)(H)	O(CCCH)(CCO)	103.8905	0.808	2	103.8905	0.653	2	103.8905	0.653	2	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(CCO)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(CCO)	103.6630	0.151	2	103.6630	0.023	2	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	111.2740	0.000	1	111.2740	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCCO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	C(CCCO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	108.9670	3.374	2	108.9670	11.386	2	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCFF)(CCHO)(OC)(H)	C(CCHO)(CC3)(OH)(H)	O(CCCH)(CNO)	C(CCFF)(CCHO)(OC)(H)	C(CCHO)(CC3)(OH)(H)	O(CCCH)(CNO)	108.7220	0.000	1	108.7220	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(CCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(CCO)	105.7390	0.000	1	105.7390	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHH)(CCHO)(OC)(H)	C(CCHN)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHN)(CCHO)(OC)(H)	O(CCCH)(CCO)	106.0320	0.000	1	106.0320	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHH)(CCHO)(OC)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(CCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(CCO)	103.5240	0.000	1	103.5240	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	106.8900	0.000	1	106.8900	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(OH)(H)	O(CCCH)(CCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(OH)(H)	O(CCCH)(CCO)	106.7665	0.549	2	106.7665	0.302	2	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHN)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CCHN)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(CCO)	108.1320	0.000	1	108.1320	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CC3)(OC)(H)	C(CCFF)(CCHO)(OH)(H)	O(CCCH)(CNO)	C(CCHO)(CC3)(OC)(H)	C(CCFF)(CCHO)(OH)(H)	O(CCCH)(CNO)	111.2090	0.000	1	111.2090	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CC3)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CC3)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	109.1472	0.838	4	109.1472	0.702	4	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CC3)(OC)(H)	C(CCHO)2(OH)(H)	O(CCCH)(CCO)	C(CCHO)(CC3)(OC)(H)	C(CCHO)2(OH)(H)	O(CCCH)(CCO)	110.7550	0.000	1	110.7550	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CC3)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CC3)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	109.1930	0.000	1	109.1930	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CCHS)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCHS)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	107.0210	0.000	1	107.0210	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CH3)(OC)(H)	C(CCHO)2(OH)(H)	O(CCCH)(CCO)	C(CCHO)(CH3)(OC)(H)	C(CCHO)2(OH)(H)	O(CCCH)(CCO)	105.6220	0.000	1	105.6220	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CHHN)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHHN)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	106.6570	0.000	1	106.6570	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	105.4924	2.500	12	105.4924	6.251	12	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CHO)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CHO)	104.3850	0.382	2	104.3850	0.146	2	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	104.4740	0.000	1	104.4740	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CHHO)(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHHO)(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	105.4890	0.000	1	105.4890	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CHHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	109.7030	0.000	1	109.7030	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(CHHO)(OC)(H)	C(CC[6a]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHHO)(OC)(H)	C(CC[6a]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	106.1385	0.042	2	106.1385	0.002	2	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CCCH)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)2(OC)(H)	C(CCCH)(CCHO)(OC)(H)	O(CCCH)(CCO)	109.6450	0.000	1	109.6450	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CCCO)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)2(OC)(H)	C(CCCO)(CCHO)(OC)(H)	O(CCCH)(CCO)	104.9620	5.159	2	104.9620	26.616	2	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(CCO)	104.4580	0.000	1	104.4580	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(CCC)	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(CCC)	105.4830	0.000	1	105.4830	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CCHO)(CC3)(OC)(H)	O(CCCH)(CCO)	C(CCHO)2(OC)(H)	C(CCHO)(CC3)(OC)(H)	O(CCCH)(CCO)	108.6709	2.641	7	108.6709	6.974	7	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CCHO)(CCHS)(OC)(H)	O(CCCH)(CCO)	C(CCHO)2(OC)(H)	C(CCHO)(CCHS)(OC)(H)	O(CCCH)(CCO)	110.1330	0.000	1	110.1330	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CCHO)(CHHN)(OC)(H)	O(CCCH)(CCO)	C(CCHO)2(OC)(H)	C(CCHO)(CHHN)(OC)(H)	O(CCCH)(CCO)	108.8160	0.000	1	108.8160	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CCO)	108.0952	2.174	12	108.0952	4.728	12	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	C(CCHO)2(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	106.5948	2.045	8	106.5948	4.181	8	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)2(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	108.7727	1.820	3	108.7727	3.313	3	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)2(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	O(CCCH)(CCO)	105.9850	0.000	1	105.9850	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)2(OC)(H)	C(CClHH)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)2(OC)(H)	C(CClHH)(CCHO)(OC)(H)	O(CCCH)(CCO)	109.7640	0.000	1	109.7640	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[3]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CCO)	C(CC[3]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CCO)	106.7150	0.000	1	106.7150	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[5]HH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(CCO)	C(CC[5]HH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(CCO)	103.0600	0.000	1	103.0600	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CCO)	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CCO)	105.1750	0.000	1	105.1750	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	109.7333	1.975	3	109.7333	3.899	3	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)(CC3)(OC)(H)	O(CCCH)(CCO)	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)(CC3)(OC)(H)	O(CCCH)(CCO)	109.3360	0.000	1	109.3360	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CCO)	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CCO)	106.9670	0.000	1	106.9670	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	104.4640	0.000	1	104.4640	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[6a]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CCO)	C(CC[6a]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CCO)	105.4650	0.187	2	105.4650	0.035	2	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CClHH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	C(CClHH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CCO)	109.0180	0.000	1	109.0180	0.000	1	107.1910	6.291	93	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:S-2:H-1:	C-4:C-3:	C(CCHO)(CCHS)(OC)(H)	C(CCHO)(CHHN)(SC)(H)	O(CCCH)(CCO)	C(CCHO)(CCHS)(OC)(H)	C(CCHO)(CHHN)(SC)(H)	O(CCCH)(CCO)	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[3]HO)(CCHO)(OC)(H)	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[3]HO)(CCHO)(OC)(H)	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	109.5970	0.000	1	109.5970	0.000	1	109.5970	0.000	1	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[4]HO)(CHHO)(OC)(H)	C(C[4]C[4]N[4]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[4]HO)(CHHO)(OC)(H)	C(C[4]C[4]N[4]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	104.5070	0.000	1	104.5070	0.000	1	104.5070	0.000	1	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[5]HO)(CCCH)(OC)(H)	C(C[5]C[5]2H)(CCHO)(OH)(H)	O(CCCH)(CCO)	C(CC[5]HO)(CCCH)(OC)(H)	C(C[5]C[5]2H)(CCHO)(OH)(H)	O(CCCH)(CCO)	104.4622	1.079	4	104.4622	1.164	4	105.8222	5.293	13	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[5]HO)(CCHH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[5]HO)(CCHH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	105.0380	0.000	1	105.0380	0.000	1	105.8222	5.293	13	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]2H)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]2H)(CCHO)(OC)(H)	O(CCCH)(CCO)	103.9850	0.069	2	103.9850	0.005	2	105.8222	5.293	13	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	110.1170	0.000	1	110.1170	0.000	1	105.8222	5.293	13	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O(CCCH)(CCO)	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O(CCCH)(CCO)	107.9150	0.000	1	107.9150	0.000	1	105.8222	5.293	13	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[5]HO)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O(CCCH)(CHO)	C(CC[5]HO)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O(CCCH)(CHO)	106.7000	2.540	4	106.7000	6.449	4	105.8222	5.293	13	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	106.7770	0.000	1	106.7770	0.000	1	107.5872	3.862	11	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6]2O)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6]2O)(CCHO)(OC)(H)	O(CCCH)(CCO)	107.0540	0.000	1	107.0540	0.000	1	107.5872	3.862	11	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	110.7260	0.000	1	110.7260	0.000	1	107.5872	3.862	11	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[6]HO)(CH3)(OC)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[6]HO)(CH3)(OC)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	107.1940	0.000	1	107.1940	0.000	1	107.5872	3.862	11	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	105.9545	2.538	2	105.9545	6.440	2	107.5872	3.862	11	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	108.9545	0.078	2	108.9545	0.006	2	107.5872	3.862	11	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	O(CCCH)(CCO)	107.2967	2.439	3	107.2967	5.951	3	107.5872	3.862	11	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	C(CC[3]HO)(CCHO)(OC)(H)	O(CC[3]CH)(CCO)	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	C(CC[3]HO)(CCHO)(OC)(H)	O(CC[3]CH)(CCO)	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[4]C[4,5]C[4]H)(CCHO)(OC)(H)	C(CC[4]HO)(CH3)(OC)(H)	O(CC[4]CH)(CCO)	C(C[4]C[4,5]C[4]H)(CCHO)(OC)(H)	C(CC[4]HO)(CH3)(OC)(H)	O(CC[4]CH)(CCO)	106.1530	0.000	1	106.1530	0.000	1	105.8105	0.235	2	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[4]C[4]N[4]H)(CCHO)(OC)(H)	C(CC[4]HO)(CHHO)(OC)(H)	O(CC[4]CH)(CCO)	C(C[4]C[4]N[4]H)(CCHO)(OC)(H)	C(CC[4]HO)(CHHO)(OC)(H)	O(CC[4]CH)(CCO)	105.4680	0.000	1	105.4680	0.000	1	105.8105	0.235	2	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[4]-4:C-4:O-2:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:C-3:	C(C[4]C[4]2Fe)(CC[4]HO)(OC)(H)	C(C[4]C[4]2Fe)(CC[4]HO)(OC)(H)	O(CC[4]CH)(CC[6a]O)	C(C[4]C[4]2Fe)(CC[4]HO)(OC)(H)	C(C[4]C[4]2Fe)(CC[4]HO)(OC)(H)	O(CC[4]CH)(CC[6a]O)	105.1930	0.717	2	105.1930	0.514	2	105.1930	0.514	2	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	O(CC[5,6]CH)(CCO)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	O(CC[5,6]CH)(CCO)	106.0850	0.277	2	106.0850	0.077	2	106.2914	0.364	5	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	O(CC[5,6]CH)(CCO)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	O(CC[5,6]CH)(CCO)	106.4290	0.787	3	106.4290	0.619	3	106.2914	0.364	5	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:C-3:	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	C(CC[5]HO)(CCHN)(NN)(H)	O(CC[5]CH)(CCO)	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	C(CC[5]HO)(CCHN)(NN)(H)	O(CC[5]CH)(CCO)	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	O(CC[5]CH)(CCO)	106.4200	0.267	2	106.4200	0.071	2	107.0830	5.197	4	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHH)(OC)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHH)(OC)(H)	O(CC[5]CH)(CCO)	105.1230	0.000	1	105.1230	0.000	1	107.0830	5.197	4	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	O(CC[5]CH)(CCO)	110.3690	0.000	1	110.3690	0.000	1	107.0830	5.197	4	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C-4:O-2:H-1:	C-4:C-3:	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	O(CC[5]CH)(CCO)	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	O(CC[5]CH)(CCO)	107.7150	0.641	2	107.7150	0.410	2	106.9570	0.795	5	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C-4:O-2:H-1:	C-4:C-3:	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	O(CC[5]CH)(CCO)	106.4517	0.653	3	106.4517	0.427	3	106.9570	0.795	5	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CHHO)(OC)(H)	O(CC[6]CH)(CCO)	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CHHO)(OC)(H)	O(CC[6]CH)(CCO)	106.9660	1.465	2	106.9660	2.147	2	108.3811	3.642	11	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CH3)(OC)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CH3)(OC)(H)	O(CC[6]CH)(CCO)	111.1100	0.000	1	111.1100	0.000	1	108.3811	3.642	11	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CHHO)(OC)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CHHO)(OC)(H)	O(CC[6]CH)(CCO)	109.4735	2.092	2	109.4735	4.378	2	108.3811	3.642	11	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	106.2750	0.000	1	106.2750	0.000	1	108.3811	3.642	11	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[6]C[6]2O)(CCHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]2O)(CCHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	108.6340	0.000	1	108.6340	0.000	1	108.3811	3.642	11	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CHHO)(OC)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CHHO)(OC)(H)	O(CC[6]CH)(CCO)	108.2877	2.401	3	108.2877	5.764	3	108.3811	3.642	11	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	O(CC[6]CH)(CCO)	108.4310	0.000	1	108.4310	0.000	1	108.3811	3.642	11	107.1202	5.661	153	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-3:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CC[5,5,6]O)(CCCH)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CC[5,5,6]O)(CCCH)	107.7830	0.000	1	107.7830	0.000	1	107.2293	0.676	6	106.6008	2.288	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-3:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	O(CC[6a]O)(CCCH)	107.8910	0.000	1	107.8910	0.000	1	107.2293	0.676	6	106.6008	2.288	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-3:C-4:	C(CCCH)(CCHN)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CCHN)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	O(CC[6a]O)(CCCH)	106.9340	1.394	2	106.9340	1.944	2	107.2293	0.676	6	106.6008	2.288	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-3:C-4:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CC[6a]O)(CCCH)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CC[6a]O)(CCCH)	106.5160	0.000	1	106.5160	0.000	1	107.2293	0.676	6	106.6008	2.288	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-3:C-4:	C(CC[5]CH)(CCCH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CC[6a]O)(CCCH)	C(CC[5]CH)(CCCH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CC[6a]O)(CCCH)	107.3180	0.000	1	107.3180	0.000	1	107.2293	0.676	6	106.6008	2.288	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-3:C-4:	C(CCCH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(NCC)(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(NCC)(H)	O(CC[6a]O)(CCCH)	105.2150	0.000	1	105.2150	0.000	1	105.6580	3.763	4	106.6008	2.288	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-3:C-4:	C(CCCH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(NCH)(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(NCH)(H)	O(CC[6a]O)(CCCH)	106.8460	0.000	1	106.8460	0.000	1	105.6580	3.763	4	106.6008	2.288	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-3:C-4:	C(CN[6]HH)(CCHN)(OC)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	O(CC[6a]O)(CCCH)	C(CN[6]HH)(CCHN)(OC)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	O(CC[6a]O)(CCCH)	105.2855	3.067	2	105.2855	9.405	2	105.6580	3.763	4	106.6008	2.288	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCC)(H)	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCC)(H)	O(CCCH)(CCO)	109.5060	0.000	1	109.5060	0.000	1	107.1698	7.814	10	107.4873	4.592	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(CCO)	105.6957	0.595	3	105.6957	0.354	3	107.1698	7.814	10	107.4873	4.592	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(CCO)	103.6500	0.000	1	103.6500	0.000	1	107.1698	7.814	10	107.4873	4.592	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(CCO)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(CCO)	110.8125	1.077	2	110.8125	1.160	2	107.1698	7.814	10	107.4873	4.592	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(CCCH)(CHHO)(OC)(H)	C(CCHH)(CCHO)(CNO)(H)	O(CCCH)(CCO)	C(CCCH)(CHHO)(OC)(H)	C(CCHH)(CCHO)(CNO)(H)	O(CCCH)(CCO)	109.9320	0.000	1	109.9320	0.000	1	107.1698	7.814	10	107.4873	4.592	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(CCO)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(CCO)	104.7830	0.000	1	104.7830	0.000	1	107.1698	7.814	10	107.4873	4.592	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCS)(H)	O(CCCH)(CCO)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCS)(H)	O(CCCH)(CCO)	105.1150	0.000	1	105.1150	0.000	1	107.1698	7.814	10	107.4873	4.592	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCCH)(CCHN)(OC)(H)	C(CCHO)(CHHO)(NCC)(H)	O(CCCH)(CCO)	C(CCCH)(CCHN)(OC)(H)	C(CCHO)(CHHO)(NCC)(H)	O(CCCH)(CCO)	109.5410	0.000	1	109.5410	0.000	1	108.1160	4.061	2	107.4873	4.592	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCHN)(CCHO)(OC)(H)	C(CCHH)(CCHO)(NCH)(H)	O(CCCH)(CCO)	C(CCHN)(CCHO)(OC)(H)	C(CCHH)(CCHO)(NCH)(H)	O(CCCH)(CCO)	106.6910	0.000	1	106.6910	0.000	1	108.1160	4.061	2	107.4873	4.592	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:3:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:C-3:	C(CC[6]CH)(CCCH)(OC)(H)	C(C[6]C[6]2H)(CCHO)(CCH)(H)	O(CCCH)(CNO)	C(CC[6]CH)(CCCH)(OC)(H)	C(C[6]C[6]2H)(CCHO)(CCH)(H)	O(CCCH)(CNO)	107.3880	0.000	1	107.3880	0.000	1	107.3880	0.000	1	107.4873	4.592	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(C[5]C[5]2O)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)(CCH)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2O)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)(CCH)(H)	O(CC[5]CH)(CCO)	107.4946	1.749	8	107.4946	3.058	8	107.6992	3.052	9	107.4873	4.592	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	C(CC[5]HO)(CF3)(CCH)(H)	O(CC[5]CH)(CC[6a]O)	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	C(CC[5]HO)(CF3)(CCH)(H)	O(CC[5]CH)(CC[6a]O)	109.3360	0.000	1	109.3360	0.000	1	107.6992	3.052	9	107.4873	4.592	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(C[6]C[6]2H)(CCCH)(OC)(H)	C(CC[6]HO)(CH3)(CCH)(H)	O(CC[6]CH)(CC[6a]O)	C(C[6]C[6]2H)(CCCH)(OC)(H)	C(CC[6]HO)(CH3)(CCH)(H)	O(CC[6]CH)(CC[6a]O)	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	107.4873	4.592	23	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:3:2:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CC[5]HO)(CH3)(CCO)(OH)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CC[5]HO)(CH3)(CCO)(OH)	O(CC[5]CH)(CCO)	107.2000	0.458	4	107.2000	0.210	4	107.2000	0.210	4	107.2000	0.210	4	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CC3)(OC)(H)	C(CCHO)(CH3)2(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CC3)(OC)(H)	C(CCHO)(CH3)2(H)	O(CC[6a]O)(CCCH)	105.3670	0.000	1	105.3670	0.000	1	107.4577	3.327	14	107.5934	3.495	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(CCHO)(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(CCHO)(H)	O(CC[6a]O)(CCCH)	105.3330	0.000	2	105.3330	0.000	2	107.4577	3.327	14	107.5934	3.495	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	107.8030	0.000	2	107.8030	0.000	2	107.4577	3.327	14	107.5934	3.495	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	108.9740	2.100	2	108.9740	4.410	2	107.4577	3.327	14	107.5934	3.495	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)2(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)2(H)	O(CC[6a]O)(CCCH)	108.0210	0.000	1	108.0210	0.000	1	107.4577	3.327	14	107.5934	3.495	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(CHHO)(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(CHHO)(H)	O(CC[6a]O)(CCCH)	106.4240	0.000	1	106.4240	0.000	1	107.4577	3.327	14	107.5934	3.495	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)2(H)	O(CC[5]O)(CCCH)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)2(H)	O(CC[5]O)(CCCH)	106.5290	1.800	2	106.5290	3.241	2	107.4577	3.327	14	107.5934	3.495	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)2(H)	O(CC[6a]O)(CCCH)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)2(H)	O(CC[6a]O)(CCCH)	107.7140	0.000	1	107.7140	0.000	1	107.4577	3.327	14	107.5934	3.495	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[5,5]HH)(CCCH)(OC)(H)	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	O(CC[6a]O)(CCCH)	C(CC[5,5]HH)(CCCH)(OC)(H)	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	O(CC[6a]O)(CCCH)	108.5390	0.000	1	108.5390	0.000	1	107.4577	3.327	14	107.5934	3.495	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	111.0650	0.000	1	111.0650	0.000	1	107.4577	3.327	14	107.5934	3.495	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[3]CH)(CC[5]CH)(OC)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	C(CC[3]CH)(CC[5]CH)(OC)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	110.4300	0.000	1	110.4300	0.000	1	108.5435	7.118	2	107.5934	3.495	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[5]CH)(CCCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	C(CC[5]CH)(CCCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	O(CC[6a]O)(CCCH)	106.6570	0.000	1	106.6570	0.000	1	108.5435	7.118	2	107.5934	3.495	16	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:Br-1:	C-4:C-3:	C(CBrCC)(CCHH)(OC)(H)	C(CCHO)(CH3)2(Br)	O(CCCH)(CCO)	C(CBrCC)(CCHH)(OC)(H)	C(CCHO)(CH3)2(Br)	O(CCCH)(CCO)	106.0520	0.000	1	106.0520	0.000	1	106.0520	0.000	1	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)2(H)	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)2(H)	O(CCCH)(CCO)	106.5530	0.000	1	106.5530	0.000	1	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(CCO)	107.0120	2.750	5	107.0120	7.564	5	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCHS)(CH3)(H)	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCHS)(CH3)(H)	O(CCCH)(CCO)	108.6610	0.000	1	108.6610	0.000	1	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CCO)	108.8940	0.000	2	108.8940	0.000	2	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CCO)	107.0150	2.141	2	107.0150	4.584	2	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CCHN)(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CCO)	C(CCCH)(CCHN)(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CCO)	107.0140	0.000	1	107.0140	0.000	1	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(CHHO)(H)	O(CCCH)(CCO)	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(CHHO)(H)	O(CCCH)(CCO)	108.9440	0.000	1	108.9440	0.000	1	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CH3)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(CCO)	C(CCCH)(CH3)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(CCO)	106.7355	0.790	2	106.7355	0.624	2	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CH3)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CCO)	C(CCCH)(CH3)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CCO)	109.0797	4.890	3	109.0797	23.915	3	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(CHHN)(CH3)(H)	O(CCCH)(CCC)	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(CHHN)(CH3)(H)	O(CCCH)(CCC)	109.4910	0.498	2	109.4910	0.248	2	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(CCO)	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(CCO)	106.5931	1.975	7	106.5931	3.901	7	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CCO)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CCO)	107.0655	1.282	2	107.0655	1.643	2	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)2(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CCO)	C(CCCH)2(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CCO)	106.9814	1.317	22	106.9814	1.734	22	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)2(OC)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	O(CCCH)(CCO)	C(CCCH)2(OC)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	O(CCCH)(CCO)	107.2210	0.000	1	107.2210	0.000	1	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[3]HH)(CCCH)(OC)(H)	C(CCCH)(CCHO)2(H)	O(CCCH)(CCO)	C(CC[3]HH)(CCCH)(OC)(H)	C(CCCH)(CCHO)2(H)	O(CCCH)(CCO)	109.3410	0.000	1	109.3410	0.000	1	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[3]HH)(CCCH)(OC)(H)	C(CC[3]HO)(CCCH)(CCHO)(H)	O(CCCH)(CCO)	C(CC[3]HH)(CCCH)(OC)(H)	C(CC[3]HO)(CCCH)(CCHO)(H)	O(CCCH)(CCO)	109.1720	0.000	1	109.1720	0.000	1	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[4]CC)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CCO)	C(CC[4]CC)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CCO)	106.6590	0.236	2	106.6590	0.056	2	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[5]HO)(CCCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(CCO)	C(CC[5]HO)(CCCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(CCO)	108.6157	0.480	4	108.6157	0.230	4	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[6]CH)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CNO)	C(CC[6]CH)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CNO)	107.4360	0.000	1	107.4360	0.000	1	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[6a]2H)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CCO)	C(CC[6a]2H)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CCO)	108.8950	0.000	1	108.8950	0.000	1	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[6a]CH)(CCCH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CCO)	C(CC[6a]CH)(CCCH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CCO)	111.1590	0.000	1	111.1590	0.000	1	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CN[5]CH)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CCO)	C(CN[5]CH)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CCO)	107.9250	1.027	2	107.9250	1.054	2	107.5149	3.342	65	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[3]CH)(CHHO)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	O(CCCH)(CHH)	C(CC[3]CH)(CHHO)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	O(CCCH)(CHH)	106.6240	0.000	1	106.6240	0.000	1	106.6240	0.000	1	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[5,6]CH)(CC3)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	O(CCCH)(CCO)	C(CC[5,6]CH)(CC3)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	O(CCCH)(CCO)	110.0880	0.059	2	110.0880	0.004	2	110.0880	0.004	2	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:	C(CC[6]CH)(CCHH)(OC)(H)	C(C[6]C[6]2H)(CCHO)(CH3)(H)	O(CCCH)(CCO)	C(CC[6]CH)(CCHH)(OC)(H)	C(C[6]C[6]2H)(CCHO)(CH3)(H)	O(CCCH)(CCO)	103.5620	0.000	1	103.5620	0.000	1	103.5620	0.000	1	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(C[3]C[3]N[3]H)(CCCH)(OC)(H)	C(CC[3]HO)(CH3)2(H)	O(CC[3]CH)(CC[6a]O)	C(C[3]C[3]N[3]H)(CCCH)(OC)(H)	C(CC[3]HO)(CH3)2(H)	O(CC[3]CH)(CC[6a]O)	107.8310	0.000	1	107.8310	0.000	1	107.1625	0.894	2	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	C(CC[3]HO)(CCCH)(CCHO)(H)	O(CC[3]CH)(CCO)	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	C(CC[3]HO)(CCCH)(CCHO)(H)	O(CC[3]CH)(CCO)	106.4940	0.000	1	106.4940	0.000	1	107.1625	0.894	2	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]2O)(CCCH)(OC)(H)	C(CC[5]HO)(CCCH)(CH3)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]2O)(CCCH)(OC)(H)	C(CC[5]HO)(CCCH)(CH3)(H)	O(CC[5]CH)(CCO)	104.6840	0.000	1	104.6840	0.000	1	108.1372	4.819	6	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)2(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)2(H)	O(CC[5]CH)(CCO)	109.9820	0.000	2	109.9820	0.000	2	108.1372	4.819	6	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)2(H)	O(CC[5]CH)(COO)	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)2(H)	O(CC[5]CH)(COO)	107.1145	0.012	2	107.1145	0.000	2	108.1372	4.819	6	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)2(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)2(H)	O(CC[5]CH)(CCO)	109.9460	0.000	1	109.9460	0.000	1	108.1372	4.819	6	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:3:	C[5]-4:C-4:O-2:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:C-3:	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	O(CC[5]CH)(CCO)	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	107.5771	3.618	79	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OC)	O(CCCH)(CCO)	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OC)	O(CCCH)(CCO)	108.3950	0.000	1	108.3950	0.000	1	107.7214	1.303	7	106.4088	1.714	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OH)	O(CCCH)(CCO)	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OH)	O(CCCH)(CCO)	108.5110	0.000	1	108.5110	0.000	1	107.7214	1.303	7	106.4088	1.714	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(CCCO)(CCHH)(OC)(H)	C(CCHO)(CH3)2(OC)	O(CCCH)(CCO)	C(CCCO)(CCHH)(OC)(H)	C(CCHO)(CH3)2(OC)	O(CCCH)(CCO)	108.3520	0.000	1	108.3520	0.000	1	107.7214	1.303	7	106.4088	1.714	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(CCCO)(CCHH)(OC)(H)	C(CCHO)2(CH3)(OH)	O(CCCH)(CCO)	C(CCCO)(CCHH)(OC)(H)	C(CCHO)2(CH3)(OH)	O(CCCH)(CCO)	106.6490	0.000	1	106.6490	0.000	1	107.7214	1.303	7	106.4088	1.714	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(CCCO)(CCHO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	O(CCCH)(CCO)	C(CCCO)(CCHO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	O(CCCH)(CCO)	106.5020	0.457	2	106.5020	0.209	2	107.7214	1.303	7	106.4088	1.714	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(CCCO)(CHHO)(OC)(H)	C(CCHO)2(CH3)(OSi)	O(CCCH)(CCO)	C(CCCO)(CHHO)(OC)(H)	C(CCHO)2(CH3)(OSi)	O(CCCH)(CCO)	109.1390	0.000	1	109.1390	0.000	1	107.7214	1.303	7	106.4088	1.714	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:3:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:N-2:	C-4:C-3:	C(CC[6]CN)(CCHH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	O(CCCH)(CCO)	C(CC[6]CN)(CCHH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	O(CCCH)(CCO)	104.9340	0.000	1	104.9340	0.000	1	104.9340	0.000	1	106.4088	1.714	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:3:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:C-3:	C(CC[6]CO)(CCHH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	O(CCCH)(CCO)	C(CC[6]CO)(CCHH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	O(CCCH)(CCO)	106.5120	0.000	1	106.5120	0.000	1	106.5120	0.000	1	106.4088	1.714	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	O(CC[5]CH)(CCO)	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	O(CC[5]CH)(CCO)	106.6090	0.355	2	106.6090	0.126	2	105.7869	1.012	13	106.4088	1.714	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	O(CC[5]CH)(CCO)	105.9254	0.931	8	105.9254	0.866	8	105.7869	1.012	13	106.4088	1.714	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CC[5]HO)(CCHH)(CH3)(OH)	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CC[5]HO)(CCHH)(CH3)(OH)	O(CC[5]CH)(CCO)	104.8697	0.981	3	104.8697	0.963	3	105.7869	1.012	13	106.4088	1.714	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C(CC[6]HO)(CH3)2(OC)	O(CC[6]CH)(CCO)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C(CC[6]HO)(CH3)2(OC)	O(CC[6]CH)(CCO)	106.8170	0.000	1	106.8170	0.000	1	106.5430	0.150	2	106.4088	1.714	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C(CC[6]HO)(CH3)2(OH)	O(CC[6]CH)(CCO)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C(CC[6]HO)(CH3)2(OH)	O(CC[6]CH)(CCO)	106.2690	0.000	1	106.2690	0.000	1	106.5430	0.150	2	106.4088	1.714	24	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:3:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-3:C-4:	C(CCCH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CH3)(COO)	O(CC[6a]O)(CCCH)	C(CCCH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CH3)(COO)	O(CC[6a]O)(CCCH)	105.5260	0.000	1	105.5260	0.000	1	106.5555	2.120	2	106.5555	2.120	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:3:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-3:C-4:	C(CCHO)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	O(CC[6a]O)(CCCH)	C(CCHO)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	O(CC[6a]O)(CCCH)	107.5850	0.000	1	107.5850	0.000	1	106.5555	2.120	2	106.5555	2.120	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:3:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:	C(CCHH)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	O(CCCH)(CCO)	C(CCHH)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	O(CCCH)(CCO)	109.6780	0.577	2	109.6780	0.333	2	107.6368	4.426	10	107.6368	4.426	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:3:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:	C(CCHO)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	O(CCCH)(CCO)	C(CCHO)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	O(CCCH)(CCO)	108.1463	0.905	6	108.1463	0.819	6	107.6368	4.426	10	107.6368	4.426	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:3:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:	C(CC[5,6]CH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CH3)(CCH)	O(CCCH)(CCO)	C(CC[5,6]CH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CH3)(CCH)	O(CCCH)(CCO)	104.0670	0.185	2	104.0670	0.034	2	107.6368	4.426	10	107.6368	4.426	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:4:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CCHH)(CC3)(OC)(H)	C(CCHO)(CH3)3	O(CC[6a]O)(CCCH)	C(CCHH)(CC3)(OC)(H)	C(CCHO)(CH3)3	O(CC[6a]O)(CCCH)	106.1575	0.276	2	106.1575	0.076	2	107.6677	2.749	9	107.6677	2.749	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:4:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CCHO)(CC3)(OC)(H)	C(CC[5]HO)(CCHO)(CH3)2	O(CC[6a]O)(CCCH)	C(CCHO)(CC3)(OC)(H)	C(CC[5]HO)(CCHO)(CH3)2	O(CC[6a]O)(CCCH)	109.4280	0.672	2	109.4280	0.451	2	107.6677	2.749	9	107.6677	2.749	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:4:	3:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CHHS)(CC3)(OC)(H)	C(CCHO)(CH3)3	O(CC[6]O)(CCCH)	C(CHHS)(CC3)(OC)(H)	C(CCHO)(CH3)3	O(CC[6]O)(CCCH)	107.5676	1.632	5	107.5676	2.663	5	107.6677	2.749	9	107.6677	2.749	9	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(CC3)(CH3)(OC)(H)	C(CCHH)(CCHO)(CH3)2	O(CCCH)(CCO)	C(CC3)(CH3)(OC)(H)	C(CCHH)(CCHO)(CH3)2	O(CCCH)(CCO)	109.6120	0.000	1	109.6120	0.000	1	108.0487	0.720	10	107.6939	1.733	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(CCHH)(CC3)(OC)(H)	C(CCHO)(CH3)3	O(CCCH)(CCO)	C(CCHH)(CC3)(OC)(H)	C(CCHO)(CH3)3	O(CCCH)(CCO)	107.6272	0.126	5	107.6272	0.016	5	108.0487	0.720	10	107.6939	1.733	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(CCHO)(CC3)(OC)(H)	C(CCHH)(CCHO)(CH3)2	O(CCCH)(CNO)	C(CCHO)(CC3)(OC)(H)	C(CCHH)(CCHO)(CH3)2	O(CCCH)(CNO)	106.7280	0.000	1	106.7280	0.000	1	108.0487	0.720	10	107.6939	1.733	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(CC[6a]CH)(CC3)(OC)(H)	C(CCHO)(CH3)3	O(CCCH)(CCO)	C(CC[6a]CH)(CC3)(OC)(H)	C(CCHO)(CH3)3	O(CCCH)(CCO)	108.9060	0.000	1	108.9060	0.000	1	108.0487	0.720	10	107.6939	1.733	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(CHHS)(CC3)(OC)(H)	C(CCHO)(CH3)3	O(CCCH)(CCO)	C(CHHS)(CC3)(OC)(H)	C(CCHO)(CH3)3	O(CCCH)(CCO)	108.7720	0.000	1	108.7720	0.000	1	108.0487	0.720	10	107.6939	1.733	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(CN[5a]HO)(CC3)(OC)(H)	C(CCHO)(CH3)3	O(CCCH)(CCO)	C(CN[5a]HO)(CC3)(OC)(H)	C(CCHO)(CH3)3	O(CCCH)(CCO)	108.3330	0.000	1	108.3330	0.000	1	108.0487	0.720	10	107.6939	1.733	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:3:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:C-3:	C(CC[4]CC)(CCCH)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	O(CCCH)(CCO)	C(CC[4]CC)(CCCH)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	O(CCCH)(CCO)	108.3515	0.037	2	108.3515	0.001	2	108.3780	1.328	4	107.6939	1.733	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:3:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:C-3:	C(CC[4]CC)(CCHH)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	O(CCCH)(CCO)	C(CC[4]CC)(CCHH)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	O(CCCH)(CCO)	109.8150	0.000	1	109.8150	0.000	1	108.3780	1.328	4	107.6939	1.733	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:3:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:C-3:	C(CC[4]CC)(CH3)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	O(CCCH)(CCO)	C(CC[4]CC)(CH3)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	O(CCCH)(CCO)	106.9940	0.000	1	106.9940	0.000	1	108.3780	1.328	4	107.6939	1.733	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:3:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	C(CC[5]HO)(CCHO)(CH3)2	O(CC[5]CH)(CCO)	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	C(CC[5]HO)(CCHO)(CH3)2	O(CC[5]CH)(CCO)	105.9080	0.628	2	105.9080	0.394	2	105.9080	0.394	2	107.6939	1.733	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(C[6,6]C[6,6]2H)(CC3)(OC)(H)	C(CC[6,6]HO)(CH3)3	O(CC[6,6]CH)(CC[6a]O)	C(C[6,6]C[6,6]2H)(CC3)(OC)(H)	C(CC[6,6]HO)(CH3)3	O(CC[6,6]CH)(CC[6a]O)	104.9820	0.000	1	104.9820	0.000	1	104.9820	0.000	1	107.6939	1.733	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:2:	3:4:3:1:	3:4:	C-4:C-4:C-2:O-2:	C[6a]-3:C-4:C-3:H-1:	C-3:C-4:	C(CC[6a]CH)(CH3)(CN)(OC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	O(CC[6a]O)(CC3)	C(CC[6a]CH)(CH3)(CN)(OC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	O(CC[6a]O)(CC3)	103.9420	0.000	1	103.9420	0.000	1	103.9420	0.000	1	103.9420	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:2:2:	4:1:1:1:	3:4:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CC[6a]CH)(CH3)(CN)(OC)	C(CCCO)(H)3	O(CC[6a]O)(CC3)	C(CC[6a]CH)(CH3)(CN)(OC)	C(CCCO)(H)3	O(CC[6a]O)(CC3)	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:3:2:	4:1:1:1:	2:4:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	N-2:C-4:	C(CH3)2(CNO)(ON)	C(CCCO)(H)3	O(NC[5])(CC3)	C(CH3)2(CNO)(ON)	C(CCCO)(H)3	O(NC[5])(CC3)	107.6335	6.244	2	107.6335	38.993	2	107.6335	38.993	2	107.6335	38.993	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:3:2:	4:1:1:1:	3:4:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(CHH)(OC)	C(CCCO)(H)3	O(CN[5]O)(CC3)	C(CH3)2(CHH)(OC)	C(CCCO)(H)3	O(CN[5]O)(CC3)	109.7280	0.366	2	109.7280	0.134	2	109.7280	0.134	2	109.7280	0.134	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:2:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)2(COO)(ON)	C(CCCO)(H)3	O(CC3)(NC)	C(CH3)2(COO)(ON)	C(CCCO)(H)3	O(CC3)(NC)	107.9025	3.699	2	107.9025	13.682	2	107.9025	13.682	2	107.9025	13.682	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:3:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CCCH)(CH3)(CCH)(OC)	C(CCCO)(H)3	O(CC3)(CCO)	C(CCCH)(CH3)(CCH)(OC)	C(CCCO)(H)3	O(CC3)(CCO)	102.4960	0.000	1	102.4960	0.000	1	107.0725	12.684	11	107.0725	12.684	11	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:3:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(CCH)(OC)	C(CCCO)(H)3	O(CC3)(CCO)	C(CH3)2(CCH)(OC)	C(CCCO)(H)3	O(CC3)(CCO)	105.2925	4.239	2	105.2925	17.970	2	107.0725	12.684	11	107.0725	12.684	11	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:3:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(CCO)(OC)	C(CCCO)(H)3	O(CC3)(CCO)	C(CH3)2(CCO)(OC)	C(CCCO)(H)3	O(CC3)(CCO)	106.9790	4.224	2	106.9790	17.844	2	107.0725	12.684	11	107.0725	12.684	11	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:3:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(CHH)(OC)	C(CCCO)(H)3	O(CC3)(CCO)	C(CH3)2(CHH)(OC)	C(CCCO)(H)3	O(CC3)(CCO)	105.6345	4.984	2	105.6345	24.844	2	107.0725	12.684	11	107.0725	12.684	11	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:3:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(CHH)(OC)	C(CCCO)(H)3	O(CC3)(CNO)	C(CH3)2(CHH)(OC)	C(CCCO)(H)3	O(CC3)(CNO)	109.8725	1.062	4	109.8725	1.128	4	107.0725	12.684	11	107.0725	12.684	11	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:3:2:	4:4:2:1:	4:3:	C-4:C-4:C-3:O-2:	C-4:C-4:C-2:H-1:	C-4:C-3:	C(CCCH)(CH3)(CCH)(OC)	C(CCCO)(CH3)(CC)(H)	O(CC3)(CCO)	C(CCCH)(CH3)(CCH)(OC)	C(CCCO)(CH3)(CC)(H)	O(CC3)(CCO)	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	2:4:4:4:	3:4:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:C-4:	B-3:C-4:	C(CCCO)(CH3)2(OB)	C(OB[5])(CCCO)(CH3)2	O(BOsH)(CC3)	C(CCCO)(CH3)2(OB)	C(OB[5])(CCCO)(CH3)2	O(BOsH)(CC3)	105.2500	0.000	1	105.2500	0.000	1	105.2500	0.000	1	105.2500	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	3:4:3:1:	3:4:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-3:C-4:	C(CC[6a]CH)(CHHO)(CH3)(OC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	O(CC[6a]O)(CC3)	C(CC[6a]CH)(CHHO)(CH3)(OC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	O(CC[6a]O)(CC3)	103.7680	0.000	1	103.7680	0.000	1	103.7680	0.000	1	103.7680	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	N-2:C-4:	C(CH3)3(ON)	C(CCCO)(H)3	O(NC[6])(CC3)	C(CH3)3(ON)	C(CCCO)(H)3	O(NC[6])(CC3)	106.9250	4.140	3	106.9250	17.140	3	106.9250	17.140	3	106.9250	17.140	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:Cl-1:Cl-1:Cl-1:	C-3:C-4:	C(CCl3)(CH3)2(OC)	C(CCCO)(Cl)3	O(CC[5]O)(CC3)	C(CCl3)(CH3)2(OC)	C(CCCO)(Cl)3	O(CC[5]O)(CC3)	100.1402	0.472	4	100.1402	0.223	4	100.1402	0.223	4	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-3:C-4:	C(CF3)(CH3)2(OC)	C(CCCO)(F)3	O(CC[6]O)(CC3)	C(CF3)(CH3)2(OC)	C(CCCO)(F)3	O(CC[6]O)(CC3)	100.2800	0.000	1	100.2800	0.000	1	100.2800	0.000	1	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	B-3:C-4:	C(CCCO)(CH3)2(OB)	C(CCCO)(H)3	O(BOsH)(CC3)	C(CCCO)(CH3)2(OB)	C(CCCO)(H)3	O(BOsH)(CC3)	108.0985	3.108	2	108.0985	9.658	2	108.0985	9.658	2	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)2(OC)	C(CCCO)(H)3	O(CC[6a]C)(CC3)	C(CCHH)(CH3)2(OC)	C(CCCO)(H)3	O(CC[6a]C)(CC3)	107.9330	5.890	2	107.9330	34.694	2	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CC[6a]CH)(CHHO)(CH3)(OC)	C(CCCO)(H)3	O(CC[6a]O)(CC3)	C(CC[6a]CH)(CHHO)(CH3)(OC)	C(CCCO)(H)3	O(CC[6a]O)(CC3)	111.2660	0.000	1	111.2660	0.000	1	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CCl3)(CH3)2(OC)	C(CCCO)(H)3	O(CC[5]O)(CC3)	C(CCl3)(CH3)2(OC)	C(CCCO)(H)3	O(CC[5]O)(CC3)	110.6676	1.145	8	110.6676	1.312	8	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CF3)(CH3)2(OC)	C(CCCO)(H)3	O(CC[6]O)(CC3)	C(CF3)(CH3)2(OC)	C(CCCO)(H)3	O(CC[6]O)(CC3)	111.3750	1.273	2	111.3750	1.620	2	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CB[5a]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CB[5a]O)(CC3)	107.3253	4.142	6	107.3253	17.156	6	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[3,5]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[3,5]O)(CC3)	107.2940	4.432	3	107.2940	19.640	3	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[3]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[3]O)(CC3)	107.1938	3.619	102	107.1938	13.098	102	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[4]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[4]O)(CC3)	106.9928	3.544	24	106.9928	12.558	24	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[5,5]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[5,5]O)(CC3)	107.3147	3.890	18	107.3147	15.130	18	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[5,6]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[5,6]O)(CC3)	107.1378	3.670	33	107.1378	13.468	33	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[5]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[5]O)(CC3)	107.0931	3.632	454	107.0931	13.189	454	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[5a]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[5a]O)(CC3)	107.2102	3.782	59	107.2102	14.301	59	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[6,6]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[6,6]O)(CC3)	107.0679	3.894	9	107.0679	15.165	9	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[6]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[6]O)(CC3)	107.0320	3.648	359	107.0320	13.311	359	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[6a]C)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[6a]C)(CC3)	107.6407	5.747	3	107.6407	33.023	3	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[6a]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[6a]O)(CC3)	107.1354	3.706	96	107.1354	13.732	96	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CCuO)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CCuO)(CC3)	107.1019	3.881	12	107.1019	15.062	12	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CIrH)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CIrH)(CC3)	107.5593	3.474	6	107.5593	12.069	6	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[3]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[3]O)(CC3)	107.0021	3.832	12	107.0021	14.687	12	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[4]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[4]O)(CC3)	107.1336	3.829	72	107.1336	14.659	72	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[5,5]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[5,5]O)(CC3)	107.3053	3.907	57	107.3053	15.267	57	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[5,6]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[5,6]O)(CC3)	107.1435	3.985	52	107.1435	15.880	52	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[5]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[5]O)(CC3)	107.1262	3.852	1300	107.1262	14.841	1300	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[5a]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[5a]O)(CC3)	106.8791	3.752	319	106.8791	14.079	319	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[6,6]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[6,6]O)(CC3)	107.0649	3.897	15	107.0649	15.188	15	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[6]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[6]O)(CC3)	107.2615	3.896	447	107.2615	15.179	447	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[6a]O)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CN[6a]O)(CC3)	106.5745	4.022	6	106.5745	16.173	6	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CPdO)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CPdO)(CC3)	107.2622	4.361	6	107.2622	19.017	6	107.1263	14.283	3483	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Ge-3:C-4:	C(CHHN)(CH3)2(OGe)	C(CCCO)(H)3	O(GeSeO)(CC3)	C(CHHN)(CH3)2(OGe)	C(CCCO)(H)3	O(GeSeO)(CC3)	108.2150	0.781	4	108.2150	0.610	4	108.2150	0.610	4	107.1182	14.313	3494	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)3(ON)	C(CCCO)(H)3	O(CC3)(NC)	C(CH3)3(ON)	C(CCCO)(H)3	O(CC3)(NC)	107.5702	3.650	15	107.5702	13.326	15	107.0968	11.154	45	107.0968	11.154	45	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)3(ON)	C(CCCO)(H)3	O(CC3)(NTi)	C(CH3)3(ON)	C(CCCO)(H)3	O(CC3)(NTi)	106.8601	3.212	30	106.8601	10.317	30	107.0968	11.154	45	107.0968	11.154	45	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:Cl-1:Cl-1:H-1:	C-4:C-3:	C(CC[6]HH)(CCl2H)(CH3)(OC)	C(CCCO)(Cl)2(H)	O(CC3)(CNO)	C(CC[6]HH)(CCl2H)(CH3)(OC)	C(CCCO)(Cl)2(H)	O(CC3)(CNO)	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:B-3:	C(CF3)3(OB)	C(CCCO)(F)3	O(CC3)(BOO)	C(CF3)3(OB)	C(CCCO)(F)3	O(CC3)(BOO)	108.8062	3.657	9	108.8062	13.375	9	108.8062	13.375	9	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(H)3	O(CC3)(CCO)	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(H)3	O(CC3)(CCO)	106.2467	3.893	4	106.2467	15.157	4	107.2583	14.423	4822	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CCHH)(CH3)2(OC)	C(CCCO)(H)3	O(CC3)(CCO)	C(CCHH)(CH3)2(OC)	C(CCCO)(H)3	O(CC3)(CCO)	105.1165	4.860	2	105.1165	23.619	2	107.2583	14.423	4822	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CCHH)(CH3)2(OC)	C(CCCO)(H)3	O(CC3)(CNO)	C(CCHH)(CH3)2(OC)	C(CCCO)(H)3	O(CC3)(CNO)	105.1605	5.274	2	105.1605	27.818	2	107.2583	14.423	4822	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CCHH)(CH3)2(OC)	C(CCCO)(H)3	O(CC3)(COO)	C(CCHH)(CH3)2(OC)	C(CCCO)(H)3	O(CC3)(COO)	109.7725	0.531	4	109.7725	0.282	4	107.2583	14.423	4822	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CCHH)2(CH3)(OC)	C(CCCO)(H)3	O(CC3)(CCO)	C(CCHH)2(CH3)(OC)	C(CCCO)(H)3	O(CC3)(CCO)	110.6147	0.299	3	110.6147	0.089	3	107.2583	14.423	4822	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CC[6]HH)(CCl2H)(CH3)(OC)	C(CCCO)(H)3	O(CC3)(CNO)	C(CC[6]HH)(CCl2H)(CH3)(OC)	C(CCCO)(H)3	O(CC3)(CNO)	103.8130	0.000	1	103.8130	0.000	1	107.2583	14.423	4822	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(CCC)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(CCC)	108.0777	4.338	3	108.0777	18.816	3	107.2583	14.423	4822	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(CCH)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(CCH)	107.2237	3.051	3	107.2237	9.310	3	107.2583	14.423	4822	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(CCN)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(CCN)	107.1820	4.745	3	107.1820	22.510	3	107.2583	14.423	4822	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(CCO)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(CCO)	107.1358	3.728	1265	107.1358	13.895	1265	107.2583	14.423	4822	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(CNN)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(CNN)	108.5150	3.845	3	108.5150	14.788	3	107.2583	14.423	4822	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(CNO)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(CNO)	107.3099	3.825	3428	107.3099	14.629	3428	107.2583	14.423	4822	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(COO)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(COO)	106.9434	3.829	101	106.9434	14.665	101	107.2583	14.423	4822	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[5,6]C[6]H)(CH3)2(OC)	C(CC[6]CO)(H)3	O(CC[6]CC)(CCO)	C(C[6]C[5,6]C[6]H)(CH3)2(OC)	C(CC[6]CO)(H)3	O(CC[6]CC)(CCO)	109.3890	0.709	4	109.3890	0.502	4	106.0086	22.417	24	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[6]2H)(CH3)2(OC)	C(CC[6]CO)(H)3	O(CC[6]CC)(CCO)	C(C[6]C[6]2H)(CH3)2(OC)	C(CC[6]CO)(H)3	O(CC[6]CC)(CCO)	103.9359	4.335	16	103.9359	18.792	16	106.0086	22.417	24	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[6]2H)(CH3)2(OC)	C(CC[6]CO)(H)3	O(CC[6]CC)(CC[6a]O)	C(C[6]C[6]2H)(CH3)2(OC)	C(CC[6]CO)(H)3	O(CC[6]CC)(CC[6a]O)	108.7195	0.397	2	108.7195	0.157	2	106.0086	22.417	24	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	C(CC[6]CO)(H)3	O(CC[6]CC)(CCO)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	C(CC[6]CO)(H)3	O(CC[6]CC)(CCO)	114.0690	0.000	1	114.0690	0.000	1	106.0086	22.417	24	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	C(CC[6]CO)(H)3	O(CC[6]CC)(CCO)	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	C(CC[6]CO)(H)3	O(CC[6]CC)(CCO)	112.1680	0.000	1	112.1680	0.000	1	106.0086	22.417	24	107.2552	14.462	4856	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:2:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CC[6a]CH)(CHHO)(CH3)(OC)	C(CCCO)(OC)(H)2	O(CC[6a]O)(CC3)	C(CC[6a]CH)(CHHO)(CH3)(OC)	C(CCCO)(OC)(H)2	O(CC[6a]O)(CC3)	104.4350	0.000	1	104.4350	0.000	1	104.4350	0.000	1	104.4350	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:2:2:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:C-2:O-2:H-1:	C-4:C-3:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CC)(OH)(H)	O(CC3)(CCO)	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CC)(OH)(H)	O(CC3)(CCO)	101.8370	0.000	1	101.8370	0.000	1	101.8370	0.000	1	101.8370	0.000	1	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:3:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	Ge-3:C-4:	C(CHHN)(CH3)2(OGe)	C(CCCO)(NCC)(H)2	O(GeSeO)(CC3)	C(CHHN)(CH3)2(OGe)	C(CCCO)(NCC)(H)2	O(GeSeO)(CC3)	109.1075	0.008	2	109.1075	0.000	2	109.1075	0.000	2	109.1075	0.000	2	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:4:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)2(OC)	C(CCCO)(CHHN)(H)2	O(CC[6a]C)(CC3)	C(CCHH)(CH3)2(OC)	C(CCCO)(CHHN)(H)2	O(CC[6a]C)(CC3)	107.9100	0.000	1	107.9100	0.000	1	106.7625	16.273	10	106.7625	16.273	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:4:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)3(OC)	C(CCCO)(CCHH)(H)2	O(CC[6a]O)(CC3)	C(CCHH)3(OC)	C(CCCO)(CCHH)(H)2	O(CC[6a]O)(CC3)	106.5883	4.585	6	106.5883	21.021	6	106.7625	16.273	10	106.7625	16.273	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:4:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)3(OC)	C(CCCO)(CH3)(H)2	O(CC[6a]O)(CC3)	C(CCHH)3(OC)	C(CCCO)(CH3)(H)2	O(CC[6a]O)(CC3)	106.7283	4.464	3	106.7283	19.926	3	106.7625	16.273	10	106.7625	16.273	10	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(H)2	O(CC3)(CCO)	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(H)2	O(CC3)(CCO)	111.3050	2.220	4	111.3050	4.927	4	107.1810	24.156	14	107.5704	21.147	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CH3)2(OC)	C(CCCO)(CCHH)(H)2	O(CC3)(CCO)	C(CCHH)(CH3)2(OC)	C(CCCO)(CCHH)(H)2	O(CC3)(CCO)	109.6300	0.000	1	109.6300	0.000	1	107.1810	24.156	14	107.5704	21.147	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CH3)2(OC)	C(CCCO)(CCHH)(H)2	O(CC3)(COO)	C(CCHH)(CH3)2(OC)	C(CCCO)(CCHH)(H)2	O(CC3)(COO)	101.8065	0.012	2	101.8065	0.000	2	107.1810	24.156	14	107.5704	21.147	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CH3)2(OC)	C(CCCO)(CH3)(H)2	O(CC3)(CNO)	C(CCHH)(CH3)2(OC)	C(CCCO)(CH3)(H)2	O(CC3)(CNO)	114.7020	0.000	1	114.7020	0.000	1	107.1810	24.156	14	107.5704	21.147	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)2(CH3)(OC)	C(CCCO)(CCHH)(H)2	O(CC3)(CCO)	C(CCHH)2(CH3)(OC)	C(CCCO)(CCHH)(H)2	O(CC3)(CCO)	104.5615	3.734	6	104.5615	13.942	6	107.1810	24.156	14	107.5704	21.147	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:3:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[6]HH)(CCl2H)(CH3)(OC)	C(C[6]C[6,6]C[6]H)(CCCO)(H)2	O(CC3)(CNO)	C(CC[6]HH)(CCl2H)(CH3)(OC)	C(C[6]C[6,6]C[6]H)(CCCO)(H)2	O(CC3)(CNO)	111.9760	0.000	1	111.9760	0.000	1	111.9760	0.000	1	107.5704	21.147	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	C(CC[6]CO)(CCHH)(H)2	O(CC[6]CC)(CCO)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	C(CC[6]CO)(CCHH)(H)2	O(CC[6]CC)(CCO)	109.1530	0.000	1	109.1530	0.000	1	109.1530	0.000	1	107.5704	21.147	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C-4:C-4:O-2:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	C(C[3]C[3]O[3]H)(CC[6]CO)(H)2	O(CC[6]CC)(CCO)	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	C(C[3]C[3]O[3]H)(CC[6]CO)(H)2	O(CC[6]CC)(CCO)	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	107.5704	21.147	17	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OC)(H)	O(CC3)(CCO)	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OC)(H)	O(CC3)(CCO)	106.0770	0.000	1	106.0770	0.000	1	105.3073	0.567	3	105.3073	0.567	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP2_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:3:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	O(CC3)(CCO)	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	O(CC3)(CCO)	104.9225	0.496	2	104.9225	0.246	2	105.3073	0.567	3	105.3073	0.567	3	107.8245	8.763	23545	107.8245	8.763	23545
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	2:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	N[5]-3:C-4:	C(ON[5])(CHHO)(H)2	C(ON[5])(CHHO)(H)2	O(N[5]C[5]N[5])(CCHH)	C(ON[5])(CHHO)(H)2	C(ON[5])(CHHO)(H)2	O(N[5]C[5]N[5])(CCHH)	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	110.2418	10.584	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	2:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	N[5a]-3:C-4:	C(ON[5a])(CHHO)(H)2	C(ON[5a])(CHHO)(H)2	O(N[5a]C[5a]N[5a])(CCHH)	C(ON[5a])(CHHO)(H)2	C(ON[5a])(CHHO)(H)2	O(N[5a]C[5a]N[5a])(CCHH)	109.4165	3.094	4	109.4165	9.571	4	109.4165	9.571	4	110.2418	10.584	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	2:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CHHN)(H)2	C(NP[6])(CHHO)(H)2	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHN)(H)2	C(NP[6])(CHHO)(H)2	O(P[6]N[6]2Cl)(CCHH)	114.7930	0.000	1	114.7930	0.000	1	114.7930	0.000	1	110.1121	11.439	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	2:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	B[5]-4:C-4:	C(OB[5])(CHHO)(H)2	C(OB[5])(CHHO)(H)2	O(B[5]C[5]O[5]2)(CCHH)	C(OB[5])(CHHO)(H)2	C(OB[5])(CHHO)(H)2	O(B[5]C[5]O[5]2)(CCHH)	109.3560	0.018	2	109.3560	0.000	2	109.3560	0.000	2	110.1121	11.439	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	2:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHO)(H)2	C(OC[6])(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(OC[6])(CHHO)(H)2	C(OC[6])(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	113.7920	0.000	1	113.7920	0.000	1	113.7920	0.000	1	110.1121	11.439	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	2:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	P[4]-4:C-4:	C(OP[4])(CHHO)(H)2	C(OP[4])(CHHO)(H)2	O(P[4]N[4]2S)(CCHH)	C(OP[4])(CHHO)(H)2	C(OP[4])(CHHO)(H)2	O(P[4]N[4]2S)(CCHH)	107.7773	1.355	6	107.7773	1.837	6	107.7773	1.837	6	110.1121	11.439	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	2:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CHHO)(H)2	C(OP[6])(CHHO)(H)2	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	C(OP[6])(CHHO)(H)2	O(P[6]N[6]2Cl)(CCHH)	114.3960	0.000	1	114.3960	0.000	1	115.1030	1.000	2	110.1121	11.439	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	2:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CHHO)(H)2	C(OP[6])(CHHO)(H)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CHHO)(H)2	C(OP[6])(CHHO)(H)2	O(P[6]N[6]2O)(CCHH)	115.8100	0.000	1	115.8100	0.000	1	115.1030	1.000	2	110.1121	11.439	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	2:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHS)(H)2	C(SC[6])(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(OC[6])(CHHS)(H)2	C(SC[6])(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	110.1121	11.439	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	3:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CHHN)(H)2	C(NP[6]H)(CHHO)(H)2	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHN)(H)2	C(NP[6]H)(CHHO)(H)2	O(P[6]N[6]2Cl)(CCHH)	115.2170	0.000	1	115.2170	0.000	1	115.2170	0.000	1	115.2170	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	P[4]-3:C-4:	C(OP[4])(CF3)(H)2	C(CHHO)(F)3	O(P[4]N[4]2)(CCHH)	C(OP[4])(CF3)(H)2	C(CHHO)(F)3	O(P[4]N[4]2)(CCHH)	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6,6]-4:C-4:	C(OC[6,6])(CClHH)(H)2	C(CHHO)(Cl)(H)2	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CCHH)	C(OC[6,6])(CClHH)(H)2	C(CHHO)(Cl)(H)2	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CCHH)	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[6]-4:C-4:	C(OC[6])(CF3)(H)2	C(CHHO)(F)3	O(C[6]C[6]2O)(CCHH)	C(OC[6])(CF3)(H)2	C(CHHO)(F)3	O(C[6]C[6]2O)(CCHH)	109.8255	1.204	2	109.8255	1.450	2	108.9483	3.033	3	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[6]-4:C-4:	C(OC[6])(CF3)(H)2	C(CHHO)(F)3	O(C[6]C[6]N[6]H)(CCHH)	C(OC[6])(CF3)(H)2	C(CHHO)(F)3	O(C[6]C[6]N[6]H)(CCHH)	107.1940	0.000	1	107.1940	0.000	1	108.9483	3.033	3	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	P[6,6]-4:C-4:	C(OP[6,6])(CF3)(H)2	C(CHHO)(F)3	O(P[6,6]C[3x6]2Pt)(CCHH)	C(OP[6,6])(CF3)(H)2	C(CHHO)(F)3	O(P[6,6]C[3x6]2Pt)(CCHH)	108.8515	2.679	2	108.8515	7.178	2	108.8515	7.178	2	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	P[6]-4:C-4:	C(OP[6])(CF3)(H)2	C(CHHO)(F)3	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CF3)(H)2	C(CHHO)(F)3	O(P[6]N[6]2O)(CCHH)	107.9410	0.985	4	107.9410	0.970	4	107.9410	0.970	4	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C[5,6,6]-4:C-4:	C(OC[5,6,6])(CFHH)(H)2	C(CHHO)(F)(H)2	O(C[5,6,6]C[5,6,6]3)(CCHH)	C(OC[5,6,6])(CFHH)(H)2	C(CHHO)(F)(H)2	O(C[5,6,6]C[5,6,6]3)(CCHH)	107.7290	0.782	2	107.7290	0.612	2	108.0095	0.668	4	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C[5,6,6]-4:C-4:	C(OC[5,6,6])(CFHH)(H)2	C(CHHO)(F)(H)2	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CCHH)	C(OC[5,6,6])(CFHH)(H)2	C(CHHO)(F)(H)2	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CCHH)	108.2900	1.038	2	108.2900	1.078	2	108.0095	0.668	4	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[5]-4:C-4:	C(OB[5])(CH3)(H)2	C(CHHO)(H)3	O(B[5]C[5,6a]C[6a]C[5])(CCHH)	C(OB[5])(CH3)(H)2	C(CHHO)(H)3	O(B[5]C[5,6a]C[6a]C[5])(CCHH)	108.6497	0.544	4	108.6497	0.296	4	108.6497	0.296	4	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:	C(OB[6])(CH3)(H)2	C(CHHO)(H)3	O(B[6]C[6]2Ru)(CCHH)	C(OB[6])(CH3)(H)2	C(CHHO)(H)3	O(B[6]C[6]2Ru)(CCHH)	109.1273	0.929	3	109.1273	0.864	3	109.0408	0.606	4	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:	C(OB[6])(CH3)(H)2	C(CHHO)(H)3	O(B[6]N[5a,6]2O)(CCHH)	C(OB[6])(CH3)(H)2	C(CHHO)(H)3	O(B[6]N[5a,6]2O)(CCHH)	108.7810	0.000	1	108.7810	0.000	1	109.0408	0.606	4	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3,6]-4:C-4:	C(OC[3,6])(CH3)(H)2	C(CHHO)(H)3	O(C[3,6]C[3,6]C[3]C[6])(CCHH)	C(OC[3,6])(CH3)(H)2	C(CHHO)(H)3	O(C[3,6]C[3,6]C[3]C[6])(CCHH)	107.9400	0.085	2	107.9400	0.007	2	107.9400	0.007	2	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:	C(OC[3x6])(CH3)(H)2	C(CHHO)(H)3	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	C(OC[3x6])(CH3)(H)2	C(CHHO)(H)3	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	107.5290	0.357	4	107.5290	0.127	4	107.5290	0.127	4	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4,6]-4:C-4:	C(OC[4,6])(CH3)(H)2	C(CHHO)(H)3	O(C[4,6]C[4,6]C[4]C[6])(CCHH)	C(OC[4,6])(CH3)(H)2	C(CHHO)(H)3	O(C[4,6]C[4,6]C[4]C[6])(CCHH)	107.2750	0.000	1	107.2750	0.000	1	107.2750	0.000	1	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:	C(OC[4])(CH3)(H)2	C(CHHO)(H)3	O(C[4]C[4,6]C[4]H)(CCHH)	C(OC[4])(CH3)(H)2	C(CHHO)(H)3	O(C[4]C[4,6]C[4]H)(CCHH)	108.6450	0.000	1	108.6450	0.000	1	108.4150	0.040	3	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:	C(OC[4])(CH3)(H)2	C(CHHO)(H)3	O(C[4]C[4]2H)(CCHH)	C(OC[4])(CH3)(H)2	C(CHHO)(H)3	O(C[4]C[4]2H)(CCHH)	108.3000	0.000	2	108.3000	0.000	2	108.4150	0.040	3	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:	C(OC[5,5])(CH3)(H)2	C(CHHO)(H)3	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	C(OC[5,5])(CH3)(H)2	C(CHHO)(H)3	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	107.6885	1.171	4	107.6885	1.370	4	108.0772	1.408	6	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:	C(OC[5,5])(CH3)(H)2	C(CHHO)(H)3	O(C[5,5]C[5,5]N[5]O[5])(CCHH)	C(OC[5,5])(CH3)(H)2	C(CHHO)(H)3	O(C[5,5]C[5,5]N[5]O[5])(CCHH)	108.1080	0.000	1	108.1080	0.000	1	108.0772	1.408	6	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:	C(OC[5,5])(CH3)(H)2	C(CHHO)(H)3	O(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)	C(OC[5,5])(CH3)(H)2	C(CHHO)(H)3	O(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)	109.6010	0.000	1	109.6010	0.000	1	108.0772	1.408	6	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:	C(OC[5,6])(CH3)(H)2	C(CHHO)(H)3	O(C[5,6]C[5,5,6]C[5,6]H)(CCHH)	C(OC[5,6])(CH3)(H)2	C(CHHO)(H)3	O(C[5,6]C[5,5,6]C[5,6]H)(CCHH)	108.8345	0.434	4	108.8345	0.188	4	108.6216	0.639	11	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:	C(OC[5,6])(CH3)(H)2	C(CHHO)(H)3	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	C(OC[5,6])(CH3)(H)2	C(CHHO)(H)3	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	108.9615	0.968	2	108.9615	0.937	2	108.6216	0.639	11	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:	C(OC[5,6])(CH3)(H)2	C(CHHO)(H)3	O(C[5,6]C[5,6]C[6]S[5])(CCHH)	C(OC[5,6])(CH3)(H)2	C(CHHO)(H)3	O(C[5,6]C[5,6]C[6]S[5])(CCHH)	108.8800	0.000	1	108.8800	0.000	1	108.6216	0.639	11	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:	C(OC[5,6])(CH3)(H)2	C(CHHO)(H)3	O(C[5,6]C[5,6]N[5]O[6])(CCHH)	C(OC[5,6])(CH3)(H)2	C(CHHO)(H)3	O(C[5,6]C[5,6]N[5]O[6])(CCHH)	108.6573	0.637	3	108.6573	0.406	3	108.6216	0.639	11	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:	C(OC[5,6])(CH3)(H)2	C(CHHO)(H)3	O(C[5,6]N[5,6]C[5]C[6])(CCHH)	C(OC[5,6])(CH3)(H)2	C(CHHO)(H)3	O(C[5,6]N[5,6]C[5]C[6])(CCHH)	106.7250	0.000	1	106.7250	0.000	1	108.6216	0.639	11	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[3]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[3]C[5]O[5])(CCHH)	108.7420	0.000	1	108.7420	0.000	1	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,5]C[5,6]C)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,5]C[5,6]C)(CCHH)	110.1060	0.000	1	110.1060	0.000	1	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,5]C[5]2)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,5]C[5]2)(CCHH)	107.8700	0.000	1	107.8700	0.000	1	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,5]C[5]O)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,5]C[5]O)(CCHH)	107.3640	0.382	2	107.3640	0.146	2	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,5]O[5]H)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,5]O[5]H)(CCHH)	107.9690	0.846	2	107.9690	0.715	2	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6]2Ru)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6]2Ru)(CCHH)	108.1805	1.119	4	108.1805	1.253	4	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]C[5,5]H)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]C[5,5]H)(CCHH)	107.5690	0.346	2	107.5690	0.120	2	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]C[5]C)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]C[5]C)(CCHH)	107.5940	0.000	1	107.5940	0.000	1	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]C[5]H)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]C[5]H)(CCHH)	108.9310	0.794	6	108.9310	0.630	6	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]C[5]O)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]C[5]O)(CCHH)	107.2420	0.247	4	107.2420	0.061	4	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]C[6a]C[5])(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]C[6a]C[5])(CCHH)	107.6180	0.000	1	107.6180	0.000	1	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]N[5]H)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]N[5]H)(CCHH)	108.4120	0.000	1	108.4120	0.000	1	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]O[5]C)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]O[5]C)(CCHH)	108.8020	0.000	1	108.8020	0.000	1	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]O[5]H)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5,6a]O[5]H)(CCHH)	108.5875	0.620	2	108.5875	0.385	2	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]2H)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]2H)(CCHH)	108.2218	0.852	4	108.2218	0.726	4	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]2Pt)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]2Pt)(CCHH)	107.9530	0.000	1	107.9530	0.000	1	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]2Rh)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]2Rh)(CCHH)	107.2170	0.000	1	107.2170	0.000	1	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]N[5]C)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]N[5]C)(CCHH)	108.0200	0.090	3	108.0200	0.008	3	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]N[5]H)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]N[5]H)(CCHH)	108.9005	0.108	2	108.9005	0.012	2	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]O[5]H)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[5]O[5]H)(CCHH)	109.7418	4.784	14	109.7418	22.882	14	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[6a]C[5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]C[6a]C[5]N[5])(CCHH)	108.5430	0.000	1	108.5430	0.000	1	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]N[5,6]C[5]H)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]N[5,6]C[5]H)(CCHH)	107.4600	0.000	1	107.4600	0.000	1	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]N[5]P[5]H)(CCHH)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	O(C[5]N[5]P[5]H)(CCHH)	107.8305	0.220	2	107.8305	0.048	2	108.5408	6.182	58	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	110.2317	1.489	3	110.2317	2.218	3	108.8560	2.597	15	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	O(C[6,6]C[4x6]C[6,6]H)(CCHH)	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	O(C[6,6]C[4x6]C[6,6]H)(CCHH)	108.6130	0.000	1	108.6130	0.000	1	108.8560	2.597	15	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	O(C[6,6]C[5,3x6]O[6,6]H)(CCHH)	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	O(C[6,6]C[5,3x6]O[6,6]H)(CCHH)	109.5280	0.000	1	109.5280	0.000	1	108.8560	2.597	15	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCHH)	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCHH)	111.9800	0.000	1	111.9800	0.000	1	108.8560	2.597	15	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	O(C[6,6]C[6,6]2O)(CCHH)	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	O(C[6,6]C[6,6]2O)(CCHH)	108.0959	1.121	8	108.0959	1.256	8	108.8560	2.597	15	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	O(C[6,6]C[6,6]O[6]2)(CCHH)	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	O(C[6,6]C[6,6]O[6]2)(CCHH)	107.2570	0.000	1	107.2570	0.000	1	108.8560	2.597	15	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)	110.3500	0.000	1	110.3500	0.000	1	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5,6]C[6]H)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5,6]C[6]H)(CCHH)	108.2425	1.121	4	108.2425	1.258	4	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5,6]C[6a]O[6])(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5,6]C[6a]O[6])(CCHH)	112.5280	0.000	1	112.5280	0.000	1	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5,6]O[6]C)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5,6]O[6]C)(CCHH)	110.1042	1.908	5	110.1042	3.640	5	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5,6]O[6]H)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5,6]O[6]H)(CCHH)	107.6700	0.000	1	107.6700	0.000	1	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5a,6]C[5,6]H)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[5a,6]C[5,6]H)(CCHH)	108.1550	0.000	1	108.1550	0.000	1	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6,6]C[6]Cr)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6,6]C[6]Cr)(CCHH)	107.5050	0.000	1	107.5050	0.000	1	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6,6]C[6]H)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6,6]C[6]H)(CCHH)	107.6675	0.954	6	107.6675	0.910	6	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6,6]O[6]H)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6,6]O[6]H)(CCHH)	108.1320	0.000	1	108.1320	0.000	1	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6,6a]C[6]H)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6,6a]C[6]H)(CCHH)	109.0160	0.410	2	109.0160	0.168	2	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]2H)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]2H)(CCHH)	109.0342	1.244	12	109.0342	1.549	12	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]2O)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]2O)(CCHH)	108.1224	0.860	8	108.1224	0.740	8	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]2Ru)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]2Ru)(CCHH)	107.1825	0.965	6	107.1825	0.932	6	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]N[6]H)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]N[6]H)(CCHH)	110.4541	2.837	7	110.4541	8.049	7	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]O[6]C)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]O[6]C)(CCHH)	108.0974	1.331	5	108.0974	1.772	5	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]O[6]H)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]O[6]H)(CCHH)	108.7632	1.819	28	108.7632	3.310	28	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]O[6]N)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]O[6]N)(CCHH)	109.5640	0.000	1	109.5640	0.000	1	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]P[6]H)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6]P[6]H)(CCHH)	108.7970	0.000	1	108.7970	0.000	1	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6a]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6a]C[6]2)(CCHH)	107.0650	0.000	1	107.0650	0.000	1	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6a]C[6]O[6])(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]C[6a]C[6]O[6])(CCHH)	110.6340	0.000	1	110.6340	0.000	1	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]N[5,6]C[6]H)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]N[5,6]C[6]H)(CCHH)	109.6570	0.000	1	109.6570	0.000	1	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]N[5a,6]C[6]H)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]N[5a,6]C[6]H)(CCHH)	108.2390	0.141	2	108.2390	0.020	2	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]O[6]2H)(CCHH)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	O(C[6]O[6]2H)(CCHH)	121.8060	0.000	1	121.8060	0.000	1	108.8803	4.697	97	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:	C(OP[5])(CH3)(H)2	C(CHHO)(H)3	O(P[5]C[5,6a]C[5]O)(CCHH)	C(OP[5])(CH3)(H)2	C(CHHO)(H)3	O(P[5]C[5,6a]C[5]O)(CCHH)	108.8780	0.000	1	108.8780	0.000	1	110.2848	1.342	4	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:	C(OP[5])(CH3)(H)2	C(CHHO)(H)3	O(P[5]C[5,6a]N[5]O)(CCHH)	C(OP[5])(CH3)(H)2	C(CHHO)(H)3	O(P[5]C[5,6a]N[5]O)(CCHH)	111.4030	0.000	1	111.4030	0.000	1	110.2848	1.342	4	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:	C(OP[5])(CH3)(H)2	C(CHHO)(H)3	O(P[5]C[5]O[5]O)(CCHH)	C(OP[5])(CH3)(H)2	C(CHHO)(H)3	O(P[5]C[5]O[5]O)(CCHH)	111.0430	0.000	1	111.0430	0.000	1	110.2848	1.342	4	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:	C(OP[5])(CH3)(H)2	C(CHHO)(H)3	O(P[5]N[5,6]C[5]O)(CCHH)	C(OP[5])(CH3)(H)2	C(CHHO)(H)3	O(P[5]N[5,6]C[5]O)(CCHH)	109.8150	0.000	1	109.8150	0.000	1	110.2848	1.342	4	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CH3)(H)2	C(CHHO)(H)3	O(P[6]C[6,6a]N[6]O)(CCHH)	C(OP[6])(CH3)(H)2	C(CHHO)(H)3	O(P[6]C[6,6a]N[6]O)(CCHH)	110.3590	0.000	1	110.3590	0.000	1	109.3849	1.255	14	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CH3)(H)2	C(CHHO)(H)3	O(P[6]C[6,6a]O[6]O)(CCHH)	C(OP[6])(CH3)(H)2	C(CHHO)(H)3	O(P[6]C[6,6a]O[6]O)(CCHH)	110.0565	1.409	2	110.0565	1.986	2	109.3849	1.255	14	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CH3)(H)2	C(CHHO)(H)3	O(P[6]C[6]2O)(CCHH)	C(OP[6])(CH3)(H)2	C(CHHO)(H)3	O(P[6]C[6]2O)(CCHH)	109.4303	0.834	6	109.4303	0.696	6	109.3849	1.255	14	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CH3)(H)2	C(CHHO)(H)3	O(P[6]C[6]O[6]B)(CCHH)	C(OP[6])(CH3)(H)2	C(CHHO)(H)3	O(P[6]C[6]O[6]B)(CCHH)	109.5490	0.000	1	109.5490	0.000	1	109.3849	1.255	14	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CH3)(H)2	C(CHHO)(H)3	O(P[6]C[6]O[6]O)(CCHH)	C(OP[6])(CH3)(H)2	C(CHHO)(H)3	O(P[6]C[6]O[6]O)(CCHH)	108.7543	1.874	3	108.7543	3.511	3	109.3849	1.255	14	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CH3)(H)2	C(CHHO)(H)3	O(P[6]N[6]2N)(CCHH)	C(OP[6])(CH3)(H)2	C(CHHO)(H)3	O(P[6]N[6]2N)(CCHH)	108.5230	0.000	1	108.5230	0.000	1	109.3849	1.255	14	108.7425	3.950	237	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	5:4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	P[5]-5:C-4:	C(OP[5])(CF3)(H)2	C(CHHO)(F)3	O(P[5]O[5]2OO)(CCHH)	C(OP[5])(CF3)(H)2	C(CHHO)(F)3	O(P[5]O[5]2OO)(CCHH)	110.2384	0.998	5	110.2384	0.996	5	110.2384	0.996	5	109.9819	2.695	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	5:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[3,3,5,4x6]-5:C-4:	C(OB[3,3,5,4x6])(CH3)(H)2	C(CHHO)(H)3	O(B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Ru)(CCHH)	C(OB[3,3,5,4x6])(CH3)(H)2	C(CHHO)(H)3	O(B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Ru)(CCHH)	110.8105	2.129	2	110.8105	4.533	2	110.8105	4.533	2	109.9819	2.695	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	5:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ge[5,3x6]-5:C-4:	C(OGe[5,3x6])(CH3)(H)2	C(CHHO)(H)3	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)	C(OGe[5,3x6])(CH3)(H)2	C(CHHO)(H)3	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)	107.0420	0.000	1	107.0420	0.000	1	107.0420	0.000	1	109.9819	2.695	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	6:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:	C(OB[5x3,5x5,20x6])(CH3)(H)2	C(CHHO)(H)3	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCHH)	C(OB[5x3,5x5,20x6])(CH3)(H)2	C(CHHO)(H)3	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCHH)	109.5830	0.567	2	109.5830	0.322	2	109.5830	0.322	2	115.1185	42.457	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	6:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Nb[6]-6:C-4:	C(ONb[6])(CH3)(H)2	C(CHHO)(H)3	O(Nb[6]N[6]O[6]Cl2O)(CCHH)	C(ONb[6])(CH3)(H)2	C(CHHO)(H)3	O(Nb[6]N[6]O[6]Cl2O)(CCHH)	120.6540	2.117	2	120.6540	4.482	2	120.6540	4.482	2	115.1185	42.457	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:1:1:1:	7:4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Nb[3,4,4,6]-7:C-4:	C(ONb[3,4,4,6])(CH3)(H)2	C(CHHO)(H)3	O(Nb[3,4,4,6]Nb[3,4,4,6]N[4,6]O[3]O[4]O[6]O)(CCHH)	C(ONb[3,4,4,6])(CH3)(H)2	C(CHHO)(H)3	O(Nb[3,4,4,6]Nb[3,4,4,6]N[4,6]O[3]O[4]O[6]O)(CCHH)	111.6568	1.549	4	111.6568	2.401	4	111.6568	2.401	4	111.6568	2.401	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	B[3x6]-4:C-4:	C(OB[3x6])(CCHH)(H)2	C(CHHO)(CC)(H)2	O(B[3x6]N[5a,6,6]3)(CCHH)	C(OB[3x6])(CCHH)(H)2	C(CHHO)(CC)(H)2	O(B[3x6]N[5a,6,6]3)(CCHH)	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHN)(H)2	C(CHHO)(NN)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(OC[6])(CHHN)(H)2	C(CHHO)(NN)(H)2	O(C[6]C[6]O[6]H)(CCHH)	112.1550	0.000	1	112.1550	0.000	1	112.1550	0.000	1	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	Si[5]-4:C-4:	C(OSi[5])(CHHN)(H)2	C(CHHO)(NC)(H)2	O(Si[5]C[5]2O)(CCHH)	C(OSi[5])(CHHN)(H)2	C(CHHO)(NC)(H)2	O(Si[5]C[5]2O)(CCHH)	108.2460	0.222	2	108.2460	0.049	2	108.2460	0.049	2	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[5]C[5,6a]C[5]H)(CCHH)	C(OC[5])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[5]C[5,6a]C[5]H)(CCHH)	114.2230	0.000	1	114.2230	0.000	1	109.7387	15.083	3	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CHHO)(H)2	C(CHHO)(OH)(H)2	O(C[5]C[5]2C)(CCHH)	C(OC[5])(CHHO)(H)2	C(CHHO)(OH)(H)2	O(C[5]C[5]2C)(CCHH)	107.4965	0.043	2	107.4965	0.002	2	109.7387	15.083	3	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	109.3860	0.000	1	109.3860	0.000	1	109.5187	4.463	80	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	111.4350	0.000	1	111.4350	0.000	1	109.5187	4.463	80	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6]2Co)(CCHH)	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6]2Co)(CCHH)	107.9087	0.460	4	107.9087	0.211	4	109.5187	4.463	80	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6]2H)(CCHH)	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6]2H)(CCHH)	109.8187	2.074	61	109.8187	4.302	61	109.5187	4.463	80	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6]2O)(CCHH)	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6]2O)(CCHH)	111.9220	0.000	1	111.9220	0.000	1	109.5187	4.463	80	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6]2Ru)(CCHH)	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6]2Ru)(CCHH)	108.0010	0.000	1	108.0010	0.000	1	109.5187	4.463	80	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6]N[6]H)(CCHH)	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6]N[6]H)(CCHH)	108.1390	0.000	1	108.1390	0.000	1	109.5187	4.463	80	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6]O[6]H)(CCHH)	110.2940	0.000	1	110.2940	0.000	1	109.5187	4.463	80	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6a]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(C[6]C[6a]C[6]2)(CCHH)	107.0425	0.927	2	107.0425	0.859	2	109.5187	4.463	80	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(OH)(H)2	O(C[6]C[6]2C)(CCHH)	C(OC[6])(CHHO)(H)2	C(CHHO)(OH)(H)2	O(C[6]C[6]2C)(CCHH)	108.1590	0.000	1	108.1590	0.000	1	109.5187	4.463	80	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(OH)(H)2	O(C[6]C[6]2Ru)(CCHH)	C(OC[6])(CHHO)(H)2	C(CHHO)(OH)(H)2	O(C[6]C[6]2Ru)(CCHH)	108.2495	2.797	6	108.2495	7.823	6	109.5187	4.463	80	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(P[6]N[6]2Cl)(CCHH)	108.9128	1.278	15	108.9128	1.632	15	109.5039	2.747	40	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(P[6]N[6]2N)(CCHH)	C(OP[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(P[6]N[6]2N)(CCHH)	109.7392	1.628	5	109.7392	2.652	5	109.5039	2.747	40	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(P[6]N[6]2O)(CCHH)	109.9452	1.885	19	109.9452	3.555	19	109.5039	2.747	40	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(P[6]N[6]3)(CCHH)	C(OP[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(P[6]N[6]3)(CCHH)	108.8090	0.000	1	108.8090	0.000	1	109.5039	2.747	40	109.5253	3.974	127	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:2:1:1:	6:4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:	C(OB[3x3,3x5,12x6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCHH)	C(OB[3x3,3x5,12x6])(CHHO)(H)2	C(CHHO)(OC)(H)2	O(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCHH)	108.2430	0.054	2	108.2430	0.003	2	108.2430	0.003	2	108.2430	0.003	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:3:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	P[5]-3:C-4:	C(OP[5])(CHHN)(H)2	C(CHHO)(NCH)(H)2	O(P[5]N[5]2)(CCHH)	C(OP[5])(CHHN)(H)2	C(CHHO)(NCH)(H)2	O(P[5]N[5]2)(CCHH)	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:3:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CCHH)(H)2	C(CHHO)(CCH)(H)2	O(C[5]C[5,6a]C[5]C)(CCHH)	C(OC[5])(CCHH)(H)2	C(CHHO)(CCH)(H)2	O(C[5]C[5,6a]C[5]C)(CCHH)	113.8410	3.463	4	113.8410	11.989	4	113.8410	11.989	4	111.3302	6.298	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:3:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(H)2	C(CHHO)(CCO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(OC[6])(CCHH)(H)2	C(CHHO)(CCO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	106.5750	0.000	1	106.5750	0.000	1	106.5750	0.000	1	111.3302	6.298	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:3:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CCHH)(H)2	C(CHHO)(CCH)(H)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCHH)(H)2	C(CHHO)(CCH)(H)2	O(P[6]N[6]2O)(CCHH)	111.0465	1.678	10	111.0465	2.814	10	111.0465	2.814	10	111.3302	6.298	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:3:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	B[6]-4:C-4:	C(OB[6])(CHHN)(H)2	C(CHHO)(NCC)(H)2	O(B[6]N[5a,6]2C[6a])(CCHH)	C(OB[6])(CHHN)(H)2	C(CHHO)(NCC)(H)2	O(B[6]N[5a,6]2C[6a])(CCHH)	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	111.3302	6.298	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:3:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	Ga[4]-4:C-4:	C(OGa[4])(CHHN)(H)2	C(CHHO)(NCC)(H)2	O(Ga[4]O[4]2O)(CCHH)	C(OGa[4])(CHHN)(H)2	C(CHHO)(NCC)(H)2	O(Ga[4]O[4]2O)(CCHH)	111.0590	0.517	3	111.0590	0.267	3	111.0590	0.267	3	111.3302	6.298	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:	C(ON[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(N[5]C[5]2)(CCHH)	C(ON[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(N[5]C[5]2)(CCHH)	106.6215	0.964	4	106.6215	0.928	4	106.6215	0.928	4	109.6571	13.429	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:	C(ON[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(N[6]C[5,6]C[6])(CCHH)	C(ON[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(N[6]C[5,6]C[6])(CCHH)	114.7805	0.114	2	114.7805	0.013	2	114.7805	0.013	2	109.6571	13.429	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:	C(ON[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(N[6a]C[6a]2)(CCHH)	C(ON[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(N[6a]C[6a]2)(CCHH)	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	109.6571	13.429	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[5]-3:C-4:	C(OP[5])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	O(P[5]C[5]2)(CCHH)	C(OP[5])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	O(P[5]C[5]2)(CCHH)	110.7660	0.000	1	110.7660	0.000	1	110.7660	0.000	1	109.6571	13.429	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	B[6]-4:C-4:	C(OB[6])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	O(B[6]N[5a,6]2O)(CCHH)	C(OB[6])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	O(B[6]N[5a,6]2O)(CCHH)	108.4635	0.087	2	108.4635	0.008	2	108.4635	0.008	2	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	P[6]-4:C-4:	C(OP[6])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	O(P[6]N[6]2Cl)(CCHH)	109.3440	1.118	16	109.3440	1.250	16	109.2898	0.995	29	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	P[6]-4:C-4:	C(OP[6])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	O(P[6]N[6]2O)(CCHH)	109.2232	0.866	13	109.2232	0.750	13	109.2898	0.995	29	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	B[6]-4:C-4:	C(OB[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(B[6]C[6]N[6]O)(CCHH)	C(OB[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(B[6]C[6]N[6]O)(CCHH)	113.0168	1.444	4	113.0168	2.084	4	113.0168	2.084	4	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:	C(OC[4])(CCHH)(H)2	C(CClCC)(CHHO)(H)2	O(C[4]C[6a]C[4]N[4])(CCHH)	C(OC[4])(CCHH)(H)2	C(CClCC)(CHHO)(H)2	O(C[4]C[6a]C[4]N[4])(CCHH)	113.1990	0.201	2	113.1990	0.040	2	113.1990	0.040	2	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	109.0951	0.284	8	109.0951	0.081	8	109.6636	4.649	17	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5,5]C[5]O)(CCHH)	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5,5]C[5]O)(CCHH)	117.2880	0.000	1	117.2880	0.000	1	109.6636	4.649	17	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5,5]O[5]H)(CCHH)	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5,5]O[5]H)(CCHH)	108.8080	0.105	2	108.8080	0.011	2	109.6636	4.649	17	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5]2O)(CCHH)	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5]2O)(CCHH)	111.9830	0.000	1	111.9830	0.000	1	109.6636	4.649	17	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[5]C[5]O[5]H)(CCHH)	109.9920	0.000	1	109.9920	0.000	1	109.6636	4.649	17	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[5]C[5,6a]N[5]N)(CCHH)	C(OC[5])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[5]C[5,6a]N[5]N)(CCHH)	108.0815	0.486	2	108.0815	0.236	2	109.6636	4.649	17	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	O(C[5]C[5,6a]C[5]H)(CCHH)	C(OC[5])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	O(C[5]C[5,6a]C[5]H)(CCHH)	109.2390	0.731	2	109.2390	0.535	2	109.6636	4.649	17	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	111.4030	0.000	1	111.4030	0.000	1	109.0923	5.030	23	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6,6a]O[6]H)(CCHH)	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6,6a]O[6]H)(CCHH)	108.3380	0.206	2	108.3380	0.043	2	109.0923	5.030	23	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6]2Ru)(CCHH)	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6]2Ru)(CCHH)	107.3435	0.493	2	107.3435	0.243	2	109.0923	5.030	23	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6]O[6]C)(CCHH)	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6]O[6]C)(CCHH)	111.2170	0.000	1	111.2170	0.000	1	109.0923	5.030	23	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	110.0096	2.295	8	110.0096	5.268	8	109.0923	5.030	23	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	O(C[6]C[6,6a]2C[6a])(CCHH)	C(OC[6])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	O(C[6]C[6,6a]2C[6a])(CCHH)	107.3410	0.000	1	107.3410	0.000	1	109.0923	5.030	23	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	O(C[6]C[6,6a]O[6]H)(CCHH)	C(OC[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	O(C[6]C[6,6a]O[6]H)(CCHH)	106.2745	0.071	2	106.2745	0.005	2	109.0923	5.030	23	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(OC[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	107.5090	0.000	1	107.5090	0.000	1	109.0923	5.030	23	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(OC[6])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	113.9720	0.000	1	113.9720	0.000	1	109.0923	5.030	23	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(H)2	C(CHHO)2(H)2	O(C[6]C[6]2H)(CCHH)	C(OC[6])(CCHH)(H)2	C(CHHO)2(H)2	O(C[6]C[6]2H)(CCHH)	108.4227	0.929	4	108.4227	0.862	4	109.0923	5.030	23	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(P[6]N[6]2Cl)(CCHH)	108.4596	0.818	5	108.4596	0.670	5	109.9721	4.366	10	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(P[6]O[6]2O)(CCHH)	C(OP[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(P[6]O[6]2O)(CCHH)	108.7610	0.000	1	108.7610	0.000	1	109.9721	4.366	10	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CCHH)(H)2	C(CHHO)2(H)2	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCHH)(H)2	C(CHHO)2(H)2	O(P[6]N[6]2Cl)(CCHH)	112.1655	1.220	4	112.1655	1.489	4	109.9721	4.366	10	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	P[4]-4:C-4:	C(OP[4])(CHHN)(H)2	C(CHHO)(NC3)(H)2	O(P[4]N[4]2Se)(CCHH)	C(OP[4])(CHHN)(H)2	C(CHHO)(NC3)(H)2	O(P[4]N[4]2Se)(CCHH)	111.3235	0.831	2	111.3235	0.690	2	111.3235	0.690	2	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CHHN)(H)2	C(NReCC)(CHHO)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	C(OC[5])(CHHN)(H)2	C(NReCC)(CHHO)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHN)(H)2	C(NReCC)(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(OC[6])(CHHN)(H)2	C(NReCC)(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	4:4:	O-2:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHP)(H)2	C(PC[6a]2Rh)(CHHO)(H)2	O(C[6]C[6,6]C[6]Rh)(CCHH)	C(OC[6])(CHHP)(H)2	C(PC[6a]2Rh)(CHHO)(H)2	O(C[6]C[6,6]C[6]Rh)(CCHH)	110.4350	0.041	2	110.4350	0.002	2	110.4350	0.002	2	109.7117	3.848	93	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	5:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[4,5,5]-5:C-4:	C(OP[4,5,5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(P[4,5,5]N[4,5,5]N[4]O[5]2)(CCHH)	C(OP[4,5,5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(P[4,5,5]N[4,5,5]N[4]O[5]2)(CCHH)	111.2760	0.000	1	111.2760	0.000	1	111.2760	0.000	1	111.2760	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	6:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:	C(OB[3x3,3x5,12x6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Pt)(CCHH)	C(OB[3x3,3x5,12x6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Pt)(CCHH)	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	109.7380	8.901	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	6:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:	C(OB[5x3,5x5,20x6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)	C(OB[5x3,5x5,20x6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)	110.1350	0.000	1	110.1350	0.000	1	111.3190	2.804	2	109.7380	8.901	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:1:1:	6:4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:	C(OB[5x3,5x5,20x6])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)	C(OB[5x3,5x5,20x6])(CCHH)(H)2	C(CHHO)(CH3)(H)2	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)	112.5030	0.000	1	112.5030	0.000	1	111.3190	2.804	2	109.7380	8.901	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:2:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:	C(OC[5])(CCHO)(H)2	C(CHHO)2(OH)(H)	O(C[5]C[5,6a]C[5]C)(CCHH)	C(OC[5])(CCHO)(H)2	C(CHHO)2(OH)(H)	O(C[5]C[5,6a]C[5]C)(CCHH)	109.0490	0.000	1	109.0490	0.000	1	109.0490	0.000	1	108.9996	1.104	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:2:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6,6]-4:C-4:	C(OC[6,6])(CCHO)(H)2	C(CHHO)2(OC)(H)	O(C[6,6]C[6,6]C[6]2)(CCHH)	C(OC[6,6])(CCHO)(H)2	C(CHHO)2(OC)(H)	O(C[6,6]C[6,6]C[6]2)(CCHH)	109.2910	0.000	1	109.2910	0.000	1	109.2910	0.000	1	108.9996	1.104	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:2:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(H)2	C(CCHO)(CHHO)(OH)(H)	O(C[6]C[6]2O)(CCHH)	C(OC[6])(CCHO)(H)2	C(CCHO)(CHHO)(OH)(H)	O(C[6]C[6]2O)(CCHH)	109.6605	0.832	2	109.6605	0.693	2	108.8860	2.146	3	108.9996	1.104	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:2:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(H)2	C(CHHO)2(OH)(H)	O(C[6]C[6]O[6]H)(CCHH)	C(OC[6])(CCHO)(H)2	C(CHHO)2(OH)(H)	O(C[6]C[6]O[6]H)(CCHH)	107.3370	0.000	1	107.3370	0.000	1	108.8860	2.146	3	108.9996	1.104	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:3:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C[3]-4:C-4:	C(OC[3])(CCHN)(H)2	C(CCHH)(CHHO)(NCC)(H)	O(C[3]C[3]2H)(CCHH)	C(OC[3])(CCHN)(H)2	C(CCHH)(CHHO)(NCC)(H)	O(C[3]C[3]2H)(CCHH)	111.6700	0.348	2	111.6700	0.121	2	111.6700	0.121	2	111.6700	0.121	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:4:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:	C(OC[6])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6]C[6,6a]C[6]H)(CCHH)	C(OC[6])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6]C[6,6a]C[6]H)(CCHH)	109.9030	0.000	1	109.9030	0.000	1	109.6940	0.087	2	112.0643	11.672	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:4:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:	C(OC[6])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6]C[6]O[6]H)(CCHH)	C(OC[6])(CCCH)(H)2	C(CHHO)(CH3)2(H)	O(C[6]C[6]O[6]H)(CCHH)	109.4850	0.000	1	109.4850	0.000	1	109.6940	0.087	2	112.0643	11.672	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:4:1:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	P[6]-4:C-4:	C(OP[6])(CCCH)(H)2	C(CHHO)2(CH3)(H)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCCH)(H)2	C(CHHO)2(CH3)(H)	O(P[6]N[6]2Cl)(CCHH)	114.4345	3.529	2	114.4345	12.455	2	114.4345	12.455	2	112.0643	11.672	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:4:3:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C[3]-4:C-4:	C(OC[3])(CCCN)(H)2	C(CHHO)(CH3)2(NCH)	O(C[3]C[3]O[3]C)(CCHH)	C(OC[3])(CCCN)(H)2	C(CHHO)(CH3)2(NCH)	O(C[3]C[3]O[3]C)(CCHH)	114.2240	0.000	1	114.2240	0.000	1	114.2240	0.000	1	114.2240	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:4:4:	3:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	P[4]-3:C-4:	C(OP[4])(CC3)(H)2	C(CHHO)2(CH3)2	O(P[4]N[4]2)(CCHH)	C(OP[4])(CC3)(H)2	C(CHHO)2(CH3)2	O(P[4]N[4]2)(CCHH)	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:4:4:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	P[4]-4:C-4:	C(OP[4])(CC3)(H)2	C(CHHO)2(CH3)2	O(P[4]N[4]2S)(CCHH)	C(OP[4])(CC3)(H)2	C(CHHO)2(CH3)2	O(P[4]N[4]2S)(CCHH)	109.7030	0.718	8	109.7030	0.516	8	109.7030	0.516	8	111.8685	3.670	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:4:4:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	P[6]-4:C-4:	C(OP[6])(CC3)(H)2	C(CCHH)2(CHHO)2	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CC3)(H)2	C(CCHH)2(CHHO)2	O(P[6]N[6]2Cl)(CCHH)	113.3591	0.361	10	113.3591	0.130	10	113.1060	1.115	14	111.8685	3.670	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:4:4:	4:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	P[6]-4:C-4:	C(OP[6])(CC3)(H)2	C(CHHO)4	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CC3)(H)2	C(CHHO)4	O(P[6]N[6]2Cl)(CCHH)	112.4733	1.922	4	112.4733	3.694	4	113.1060	1.115	14	111.8685	3.670	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:1:1:	4:4:4:4:	5:4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	P[4,5]-5:C-4:	C(OP[4,5])(CC3)(H)2	C(CHHO)2(CH3)2	O(P[4,5]N[4]2O[5]2)(CCHH)	C(OP[4,5])(CC3)(H)2	C(CHHO)2(CH3)2	O(P[4,5]N[4]2O[5]2)(CCHH)	110.2620	0.000	1	110.2620	0.000	1	110.2620	0.000	1	110.2620	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:2:1:	3:4:3:1:	4:4:	O-2:C-4:O-2:H-1:	C-3:C-4:C-3:H-1:	C-4:C-4:	C(OC[6a])(CCCH)(OC)(H)	C(CC[5a]C)(CHOO)(COO)(H)	O(CCHH)(CCHO)	C(OC[6a])(CCCH)(OC)(H)	C(CC[5a]C)(CHOO)(COO)(H)	O(CCHH)(CCHO)	108.7870	0.000	1	108.7870	0.000	1	108.7870	0.000	1	108.7870	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:2:1:	4:1:1:1:	3:4:	O-2:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	N[6]-3:C-4:	C(ON[6])(CCl3)(OH)(H)	C(CHOO)(Cl)3	O(N[6]C[6]2)(CCHO)	C(ON[6])(CCl3)(OH)(H)	C(CHOO)(Cl)3	O(N[6]C[6]2)(CCHO)	103.8535	0.180	2	103.8535	0.033	2	103.8535	0.033	2	103.8535	0.033	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:2:1:	4:1:1:1:	4:1:	O-2:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:H-1:	C(ON[6])(CCl3)(OH)(H)	C(CHOO)(Cl)3	O(CCHO)(H)	C(ON[6])(CCl3)(OH)(H)	C(CHOO)(Cl)3	O(CCHO)(H)	110.4510	0.225	2	110.4510	0.051	2	110.4510	0.051	2	110.4510	0.051	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:2:1:	4:3:1:1:	4:4:	O-2:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(OC[6a])(CCHH)(OC)(H)	C(CHOO)(COO)(H)2	O(CC[6a]CC)(CCHO)	C(OC[6a])(CCHH)(OC)(H)	C(CHOO)(COO)(H)2	O(CC[6a]CC)(CCHO)	104.8610	0.000	1	104.8610	0.000	1	104.8610	0.000	1	104.8610	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:2:1:	4:4:1:1:	4:4:	O-2:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(CC)(H)	C(CCHH)(CCHO)(H)2	O(C[6]C[6]O[6]H)(CCCH)	C(OC[6])(CCHH)(CC)(H)	C(CCHH)(CCHO)(H)2	O(C[6]C[6]O[6]H)(CCCH)	106.6580	0.000	1	106.6580	0.000	1	106.6580	0.000	1	106.6580	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:2:1:	4:4:2:1:	4:4:	S-2:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(SC[6a])(CCHO)(OC)(H)	C(CCHO)(CHOS)(OC)(H)	O(CCHS)(CH3)	C(SC[6a])(CCHO)(OC)(H)	C(CCHO)(CHOS)(OC)(H)	O(CCHS)(CH3)	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:2:1:	4:4:3:2:	4:4:	O-2:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:C-4:	C(OC[6])(CCCO)(OC)(H)	C(CHOO)(CH3)(COO)(OH)	O(CCHO)(CH3)	C(OC[6])(CCCO)(OC)(H)	C(CHOO)(CH3)(COO)(OH)	O(CCHO)(CH3)	110.4220	5.415	2	110.4220	29.322	2	110.4220	29.322	2	109.2095	13.771	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:2:1:	4:4:3:2:	4:4:	O-2:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C[6]-4:C-4:	C(OC[6])(CCCO)(OC)(H)	C(CHOO)(CH3)(COO)(OH)	O(C[6]C[6]O[6]H)(CCHO)	C(OC[6])(CCCO)(OC)(H)	C(CHOO)(CH3)(COO)(OH)	O(C[6]C[6]O[6]H)(CCHO)	107.9970	2.472	2	107.9970	6.111	2	107.9970	6.111	2	109.2095	13.771	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:3:1:	4:1:1:1:	3:4:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:	C(ON[5])(CH3)(COO)(H)	C(CCHO)(H)3	O(N[5]C[5]2)(CCCH)	C(ON[5])(CH3)(COO)(H)	C(CCHO)(H)3	O(N[5]C[5]2)(CCCH)	104.3380	0.000	1	104.3380	0.000	1	104.3380	0.000	1	104.3380	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:3:1:	4:1:1:1:	4:4:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:	C(OC[4])(CH3)(CCH)(H)	C(CCHO)(H)3	O(C[4]C[6a]C[4]N[4])(CCCH)	C(OC[4])(CH3)(CCH)(H)	C(CCHO)(H)3	O(C[4]C[6a]C[4]N[4])(CCCH)	103.6450	0.000	1	103.6450	0.000	1	105.3985	6.150	2	106.8680	2.432	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:3:1:	4:1:1:1:	4:4:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:	C(OC[4])(CH3)(CHH)(H)	C(CCHO)(H)3	O(C[4]C[6a]C[4]O[4])(CCCH)	C(OC[4])(CH3)(CHH)(H)	C(CCHO)(H)3	O(C[4]C[6a]C[4]O[4])(CCCH)	107.1520	0.000	1	107.1520	0.000	1	105.3985	6.150	2	106.8680	2.432	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:3:1:	4:1:1:1:	4:4:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(CNO)(H)	C(CCHO)(H)3	O(C[6]C[6]2H)(CCCH)	C(OC[6])(CH3)(CNO)(H)	C(CCHO)(H)3	O(C[6]C[6]2H)(CCCH)	107.7025	0.627	4	107.7025	0.393	4	107.4558	0.599	5	106.8680	2.432	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:3:1:	4:1:1:1:	4:4:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)(COO)(H)	C(CCHO)(H)3	O(C[6]C[6]2H)(CCCH)	C(OC[6])(CH3)(COO)(H)	C(CCHO)(H)3	O(C[6]C[6]2H)(CCCH)	106.4690	0.000	1	106.4690	0.000	1	107.4558	0.599	5	106.8680	2.432	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:3:1:	4:4:1:1:	3:4:	O-2:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:	C(ON[5])(CCHH)(CNO)(H)	C(CCHO)(CC3)(H)2	O(N[5]C[5]2)(CCCH)	C(ON[5])(CCHH)(CNO)(H)	C(CCHO)(CC3)(H)2	O(N[5]C[5]2)(CCCH)	106.9270	0.000	1	106.9270	0.000	1	106.9270	0.000	1	106.9270	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:3:1:	4:4:1:1:	4:4:	O-2:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(CCH)(H)	C(CCHO)(CH3)(H)2	O(C[6]C[6]N[6]C)(CCCH)	C(OC[6])(CCHH)(CCH)(H)	C(CCHO)(CH3)(H)2	O(C[6]C[6]N[6]C)(CCCH)	106.4770	0.000	1	106.4770	0.000	1	106.4770	0.000	1	106.4770	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:3:1:	4:4:2:1:	4:4:	O-2:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(CCH)(H)	C(CCHH)(CCHO)(OC)(H)	O(C[6]C[6]2H)(CCCH)	C(OC[6])(CCHO)(CCH)(H)	C(CCHH)(CCHO)(OC)(H)	O(C[6]C[6]2H)(CCCH)	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	2:4:1:1:	4:4:	O-2:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CCHH)(CHHO)(H)	C(OC[6a])(CCHO)(H)2	O(C[5]C[5,6a]C[5]C)(CCCH)	C(OC[5])(CCHH)(CHHO)(H)	C(OC[6a])(CCHO)(H)2	O(C[5]C[5,6a]C[5]C)(CCCH)	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	3:4:1:1:	4:4:	O-2:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHN)(CH3)(H)	C(NC[6a]S)(CCHO)(H)2	O(C[6]C[6a]C[6]O[6])(CCCH)	C(OC[6])(CHHN)(CH3)(H)	C(NC[6a]S)(CCHO)(H)2	O(C[6]C[6a]C[6]O[6])(CCCH)	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-3:C-4:	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)(H)3	O(P[5]C[5]2)(CCCH)	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)(H)3	O(P[5]C[5]2)(CCCH)	108.2037	0.747	3	108.2037	0.558	3	108.2037	0.558	3	108.2037	0.558	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C[5,6]-4:C-4:	C(OC[5,6])(CF3)2(H)	C(CCHO)(F)3	O(C[5,6]C[5,6]2O[5])(CCCH)	C(OC[5,6])(CF3)2(H)	C(CCHO)(F)3	O(C[5,6]C[5,6]2O[5])(CCCH)	108.1750	1.544	2	108.1750	2.385	2	108.1750	2.385	2	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C[5]-4:C-4:	C(OC[5])(CF3)2(H)	C(CCHO)(F)3	O(C[5]C[5,6a]C[5]H)(CCCH)	C(OC[5])(CF3)2(H)	C(CCHO)(F)3	O(C[5]C[5,6a]C[5]H)(CCCH)	108.2910	0.492	2	108.2910	0.242	2	108.4107	0.528	12	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C[5]-4:C-4:	C(OC[5])(CF3)2(H)	C(CCHO)(F)3	O(C[5]C[5]2H)(CCCH)	C(OC[5])(CF3)2(H)	C(CCHO)(F)3	O(C[5]C[5]2H)(CCCH)	108.9205	0.455	2	108.9205	0.207	2	108.4107	0.528	12	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C[5]-4:C-4:	C(OC[5])(CF3)2(H)	C(CCHO)(F)3	O(C[5]C[5]N[5]H)(CCCH)	C(OC[5])(CF3)2(H)	C(CCHO)(F)3	O(C[5]C[5]N[5]H)(CCCH)	108.3131	0.822	8	108.3131	0.676	8	108.4107	0.528	12	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C[6]-4:C-4:	C(OC[6])(CF3)2(H)	C(CCHO)(F)3	O(C[6]C[6]2C)(CCCH)	C(OC[6])(CF3)2(H)	C(CCHO)(F)3	O(C[6]C[6]2C)(CCCH)	107.9115	0.230	2	107.9115	0.053	2	107.9115	0.053	2	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[3,3,5,6]-4:C-4:	C(OB[3,3,5,6])(CH3)2(H)	C(CCHO)(H)3	O(B[3,3,5,6]B[4x3,3x5,6,6]B[3,3,5,6]B[5x3,5,6])(CCCH)	C(OB[3,3,5,6])(CH3)2(H)	C(CCHO)(H)3	O(B[3,3,5,6]B[4x3,3x5,6,6]B[3,3,5,6]B[5x3,5,6])(CCCH)	108.6010	2.188	2	108.6010	4.786	2	108.6010	4.786	2	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:	C(OB[6])(CH3)2(H)	C(CCHO)(H)3	O(B[6]N[5a,6]2O)(CCCH)	C(OB[6])(CH3)2(H)	C(CCHO)(H)3	O(B[6]N[5a,6]2O)(CCCH)	109.6343	1.651	4	109.6343	2.725	4	109.6343	2.725	4	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4,6]-4:C-4:	C(OC[4,6])(CH3)2(H)	C(CCHO)(H)3	O(C[4,6]C[4,5]C[4,6]C[6])(CCCH)	C(OC[4,6])(CH3)2(H)	C(CCHO)(H)3	O(C[4,6]C[4,5]C[4,6]C[6])(CCCH)	107.7735	0.743	2	107.7735	0.552	2	107.7735	0.552	2	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CCHO)(CH3)(H)	C(CCHO)(H)3	O(C[5]C[5]2H)(CCCH)	C(OC[5])(CCHO)(CH3)(H)	C(CCHO)(H)3	O(C[5]C[5]2H)(CCCH)	110.3270	0.000	1	110.3270	0.000	1	108.4089	3.352	7	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)2(H)	C(CCHO)(H)3	O(C[5]C[5]2C)(CCCH)	C(OC[5])(CH3)2(H)	C(CCHO)(H)3	O(C[5]C[5]2C)(CCCH)	108.5330	1.503	2	108.5330	2.260	2	108.4089	3.352	7	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)2(H)	C(CCHO)(H)3	O(C[5]N[5,6]P[5]H)(CCCH)	C(OC[5])(CH3)2(H)	C(CCHO)(H)3	O(C[5]N[5,6]P[5]H)(CCCH)	107.8672	2.079	4	107.8672	4.323	4	108.4089	3.352	7	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(CH3)(H)	C(CCHO)(H)3	O(C[6]C[6a]C[6]O[6])(CCCH)	C(OC[6])(CCHH)(CH3)(H)	C(CCHO)(H)3	O(C[6]C[6a]C[6]O[6])(CCCH)	109.5290	1.733	6	109.5290	3.003	6	108.5081	5.031	18	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(CH3)(H)	C(CCHO)(H)3	O(C[6]C[6,6]C[6]H)(CCCH)	C(OC[6])(CCHO)(CH3)(H)	C(CCHO)(H)3	O(C[6]C[6,6]C[6]H)(CCCH)	109.4260	0.000	1	109.4260	0.000	1	108.5081	5.031	18	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	O(C[6]C[5a,6]O[6]H)(CCCH)	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	O(C[6]C[5a,6]O[6]H)(CCCH)	108.4475	3.085	2	108.4475	9.518	2	108.5081	5.031	18	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	O(C[6]C[6]O[6]H)(CCCH)	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	O(C[6]C[6]O[6]H)(CCCH)	107.8774	2.596	8	107.8774	6.741	8	108.5081	5.031	18	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CHHN)(CH3)(H)	C(CCHO)(H)3	O(C[6]C[6a]C[6]O[6])(CCCH)	C(OC[6])(CHHN)(CH3)(H)	C(CCHO)(H)3	O(C[6]C[6a]C[6]O[6])(CCCH)	106.6320	0.000	1	106.6320	0.000	1	108.5081	5.031	18	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:	C(OP[5])(CH3)2(H)	C(CCHO)(H)3	O(P[5]C[5,6a]P[5]Se)(CCCH)	C(OP[5])(CH3)2(H)	C(CCHO)(H)3	O(P[5]C[5,6a]P[5]Se)(CCCH)	107.6935	3.428	4	107.6935	11.750	4	107.6935	11.750	4	108.4372	3.314	53	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	5:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Nb[6,6]-5:C-4:	C(ONb[6,6])(CH3)2(H)	C(CCHO)(H)3	O(Nb[6,6]N[6,6]C[6]N[6]N)(CCCH)	C(ONb[6,6])(CH3)2(H)	C(CCHO)(H)3	O(Nb[6,6]N[6,6]C[6]N[6]N)(CCCH)	109.9460	2.087	4	109.9460	4.355	4	109.9460	4.355	4	109.9460	4.355	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	6:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Nb[6]-6:C-4:	C(ONb[6])(CH3)2(H)	C(CCHO)(H)3	O(Nb[6]N[5,6]O[6]O3)(CCCH)	C(ONb[6])(CH3)2(H)	C(CCHO)(H)3	O(Nb[6]N[5,6]O[6]O3)(CCCH)	109.5519	0.925	8	109.5519	0.855	8	109.3239	0.783	16	109.3239	0.783	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:1:1:1:	6:4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Nb[6]-6:C-4:	C(ONb[6])(CH3)2(H)	C(CCHO)(H)3	O(Nb[6]N[6,6]O[6]O3)(CCCH)	C(ONb[6])(CH3)2(H)	C(CCHO)(H)3	O(Nb[6]N[6,6]O[6]O3)(CCCH)	109.0960	0.839	8	109.0960	0.704	8	109.3239	0.783	16	109.3239	0.783	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:2:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:	C(ON[6])(CHHO)2(H)	C(CCHO)(OH)(H)2	O(N[6]C[6]2)(CCCH)	C(ON[6])(CHHO)2(H)	C(CCHO)(OH)(H)2	O(N[6]C[6]2)(CCCH)	108.3350	5.757	2	108.3350	33.146	2	108.3350	33.146	2	108.3350	33.146	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:2:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(CHHO)(H)	C(CCHO)(OC)(H)2	O(C[6]C[6]2H)(CCCH)	C(OC[6])(CCHO)(CHHO)(H)	C(CCHO)(OC)(H)2	O(C[6]C[6]2H)(CCCH)	108.3780	0.000	1	108.3780	0.000	1	106.0120	11.196	2	106.3513	5.943	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:2:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(CHHO)(H)	C(CCHO)(OH)(H)2	O(C[6]N[6,6a]C[6]H)(CCCH)	C(OC[6])(CCHO)(CHHO)(H)	C(CCHO)(OH)(H)2	O(C[6]N[6,6a]C[6]H)(CCCH)	103.6460	0.000	1	103.6460	0.000	1	106.0120	11.196	2	106.3513	5.943	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:2:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CCHH)(CHHO)(H)	C(CCHO)(OC)(H)2	O(P[6]O[6]2O)(CCCH)	C(OP[6])(CCHH)(CHHO)(H)	C(CCHO)(OC)(H)2	O(P[6]O[6]2O)(CCCH)	107.0300	0.000	1	107.0300	0.000	1	107.0300	0.000	1	106.3513	5.943	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:3:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CCHH)(CHHO)(H)	C(CCHO)(CCH)(H)2	O(C[5]C[5,6a]C[5]C)(CCCH)	C(OC[5])(CCHH)(CHHO)(H)	C(CCHO)(CCH)(H)2	O(C[5]C[5,6a]C[5]C)(CCCH)	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	P[5]-3:C-4:	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)(CHHO)(H)2	O(P[5]C[5]2)(CCCH)	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)(CHHO)(H)2	O(P[5]C[5]2)(CCCH)	108.8420	0.000	1	108.8420	0.000	1	108.5443	0.068	3	108.5443	0.068	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:1:1:	3:4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	P[5]-3:C-4:	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)2(H)2	O(P[5]C[5]2)(CCCH)	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)2(H)2	O(P[5]C[5]2)(CCCH)	108.3955	0.056	2	108.3955	0.003	2	108.5443	0.068	3	108.5443	0.068	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CCHH)(CCHO)(H)	C(CCHO)(CH3)(H)2	O(C[5]C[5]2H)(CCCH)	C(OC[5])(CCHH)(CCHO)(H)	C(CCHO)(CH3)(H)2	O(C[5]C[5]2H)(CCCH)	113.8210	0.000	1	113.8210	0.000	1	113.8210	0.000	1	108.1470	7.324	24	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCCO)(CCHH)(H)	C(CCHH)(CCHO)(H)2	O(C[6]C[6]2H)(CCCH)	C(OC[6])(CCCO)(CCHH)(H)	C(CCHH)(CCHO)(H)2	O(C[6]C[6]2H)(CCCH)	105.6410	0.000	1	105.6410	0.000	1	107.8521	6.366	22	108.1470	7.324	24	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(H)2	O(C[6]C[6]2H)(CCCH)	C(OC[6])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(H)2	O(C[6]C[6]2H)(CCCH)	107.1830	0.000	1	107.1830	0.000	1	107.8521	6.366	22	108.1470	7.324	24	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(CH3)(H)	C(CCHO)(CHHN)(H)2	O(C[6]C[6a]C[6]O[6])(CCCH)	C(OC[6])(CCHH)(CH3)(H)	C(CCHO)(CHHN)(H)2	O(C[6]C[6a]C[6]O[6])(CCCH)	106.8343	0.265	6	106.8343	0.070	6	107.8521	6.366	22	108.1470	7.324	24	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)2(H)	C(CCHO)(CH3)(H)2	O(C[6]C[6]2H)(CCCH)	C(OC[6])(CCHH)2(H)	C(CCHO)(CH3)(H)2	O(C[6]C[6]2H)(CCCH)	108.4940	2.987	14	108.4940	8.925	14	107.8521	6.366	22	108.1470	7.324	24	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:1:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	P[6]-4:C-4:	C(OP[6])(CCHH)(CHHO)(H)	C(CCHH)(CCHO)(H)2	O(P[6]O[6]2O)(CCCH)	C(OP[6])(CCHH)(CHHO)(H)	C(CCHH)(CCHO)(H)2	O(P[6]O[6]2O)(CCCH)	108.9610	0.000	1	108.9610	0.000	1	108.9610	0.000	1	108.1470	7.324	24	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:2:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:	C(OC[5])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(OH)(H)	O(C[5]C[5]2H)(CCCH)	C(OC[5])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(OH)(H)	O(C[5]C[5]2H)(CCCH)	113.5680	0.000	1	113.5680	0.000	1	109.2685	36.971	2	109.5818	16.153	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:2:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:	C(OC[5])(CCHO)(CH3)(H)	C(CCHO)(CH3)(OH)(H)	O(C[5]C[5]2H)(CCCH)	C(OC[5])(CCHO)(CH3)(H)	C(CCHO)(CH3)(OH)(H)	O(C[5]C[5]2H)(CCCH)	104.9690	0.000	1	104.9690	0.000	1	109.2685	36.971	2	109.5818	16.153	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:2:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(OC)(H)	O(C[6]C[6]2H)(CCCH)	C(OC[6])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(OC)(H)	O(C[6]C[6]2H)(CCCH)	111.2670	0.000	1	111.2670	0.000	1	109.7385	14.500	4	109.5818	16.153	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:2:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(CH3)(H)	C(CCHO)(CH3)(OH)(H)	O(C[6]C[6,6]C[6]H)(CCCH)	C(OC[6])(CCHO)(CH3)(H)	C(CCHO)(CH3)(OH)(H)	O(C[6]C[6,6]C[6]H)(CCCH)	106.4890	0.000	1	106.4890	0.000	1	109.7385	14.500	4	109.5818	16.153	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:2:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(CHHO)(H)	C(CCHH)(CCHO)(OC)(H)	O(C[6]C[6]2H)(CCCH)	C(OC[6])(CCHO)(CHHO)(H)	C(CCHH)(CCHO)(OC)(H)	O(C[6]C[6]2H)(CCCH)	106.7830	0.000	1	106.7830	0.000	1	109.7385	14.500	4	109.5818	16.153	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:2:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(CHHO)(H)	C(CC[6]HO)(CCHO)(OH)(H)	O(C[6]N[6,6a]C[6]H)(CCCH)	C(OC[6])(CCHO)(CHHO)(H)	C(CC[6]HO)(CCHO)(OH)(H)	O(C[6]N[6,6a]C[6]H)(CCCH)	114.4150	0.000	1	114.4150	0.000	1	109.7385	14.500	4	109.5818	16.153	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:3:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:	C(OC[6])(CCCH)(CCCO)(H)	C(CCHO)(CH3)(CCO)(H)	O(C[6]C[6]O[6]H)(CCCH)	C(OC[6])(CCCH)(CCCO)(H)	C(CCHO)(CH3)(CCO)(H)	O(C[6]C[6]O[6]H)(CCCH)	110.9120	0.000	1	110.9120	0.000	1	111.1453	0.396	4	111.1453	0.396	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:3:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:	C(OC[6])(CCCH)2(H)	C(CCHO)(CH3)(COO)(H)	O(C[6]C[6]O[6]H)(CCCH)	C(OC[6])(CCCH)2(H)	C(CCHO)(CH3)(COO)(H)	O(C[6]C[6]O[6]H)(CCCH)	111.2230	0.747	3	111.2230	0.558	3	111.1453	0.396	4	111.1453	0.396	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:4:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:	C(OC[6])(CCCH)(CCCO)(H)	C(CCHO)2(CH3)(H)	O(C[6]C[6]O[6]H)(CCCH)	C(OC[6])(CCCH)(CCCO)(H)	C(CCHO)2(CH3)(H)	O(C[6]C[6]O[6]H)(CCCH)	110.5530	0.820	2	110.5530	0.673	2	109.1322	2.421	9	109.1322	2.421	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:4:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:	C(OC[6])(CCCH)2(H)	C(CCHO)(CH3)2(H)	O(C[6]C[6]O[6]H)(CCCH)	C(OC[6])(CCCH)2(H)	C(CCHO)(CH3)2(H)	O(C[6]C[6]O[6]H)(CCCH)	109.2960	2.393	2	109.2960	5.726	2	109.1322	2.421	9	109.1322	2.421	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:4:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:	C(OC[6])(CCCH)2(H)	C(CCHO)(CHHO)2(H)	O(C[6]C[6]O[6]H)(CCCH)	C(OC[6])(CCCH)2(H)	C(CCHO)(CHHO)2(H)	O(C[6]C[6]O[6]H)(CCCH)	108.3370	1.785	2	108.3370	3.185	2	109.1322	2.421	9	109.1322	2.421	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:4:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:	C(OC[6])(CCCH)2(H)	C(CCHO)2(CH3)(H)	O(C[6]C[6]O[6]H)(CCCH)	C(OC[6])(CCCH)2(H)	C(CCHO)2(CH3)(H)	O(C[6]C[6]O[6]H)(CCCH)	109.1970	1.226	2	109.1970	1.503	2	109.1322	2.421	9	109.1322	2.421	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:4:1:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:	C(OC[6])(CCCH)2(H)	C(CC[5]HO)(CCHO)(CH3)(H)	O(C[6]C[6]O[6]H)(CCCH)	C(OC[6])(CCCH)2(H)	C(CC[5]HO)(CCHO)(CH3)(H)	O(C[6]C[6]O[6]H)(CCCH)	107.4240	0.000	1	107.4240	0.000	1	109.1322	2.421	9	109.1322	2.421	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:4:2:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:	C(OC[6])(CCCH)(CCCO)(H)	C(CCHH)(CCHO)(CH3)(OC)	O(C[6]C[6]O[6]H)(CCCH)	C(OC[6])(CCCH)(CCCO)(H)	C(CCHH)(CCHO)(CH3)(OC)	O(C[6]C[6]O[6]H)(CCCH)	106.1270	1.334	2	106.1270	1.778	2	107.9578	12.921	4	107.9578	12.921	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:4:2:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:	C(OC[6])(CCCH)(CCCO)(H)	C(CCHH)(CCHO)(CH3)(OH)	O(C[6]C[6]O[6]H)(CCCH)	C(OC[6])(CCCH)(CCCO)(H)	C(CCHH)(CCHO)(CH3)(OH)	O(C[6]C[6]O[6]H)(CCCH)	106.3550	0.000	1	106.3550	0.000	1	107.9578	12.921	4	107.9578	12.921	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:1:	4:4:4:2:	4:4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:	C(OC[6])(CCCO)(CCHH)(H)	C(CCHH)(CCHO)(CH3)(OH)	O(C[6]C[6]2H)(CCCH)	C(OC[6])(CCCO)(CCHH)(H)	C(CCHH)(CCHO)(CH3)(OH)	O(C[6]C[6]2H)(CCCH)	113.2220	0.000	1	113.2220	0.000	1	107.9578	12.921	4	107.9578	12.921	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:2:	4:1:1:1:	4:4:	O-2:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(OC[6])(CH3)2(OC)	C(CCOO)(H)3	O(CCCO)(CCHH)	C(OC[6])(CH3)2(OC)	C(CCOO)(H)3	O(CCCO)(CCHH)	108.2360	3.270	6	108.2360	10.691	6	108.2435	12.543	8	108.6158	15.273	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:2:	4:1:1:1:	4:4:	O-2:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(OC[6])(CH3)2(OC)	C(CCOO)(H)3	O(CC[5]HH)(CCCO)	C(OC[6])(CH3)2(OC)	C(CCOO)(H)3	O(CC[5]HH)(CCCO)	108.2660	5.861	2	108.2660	34.345	2	108.2435	12.543	8	108.6158	15.273	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:2:	4:1:1:1:	4:4:	O-2:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)2(OC)	C(CCOO)(H)3	O(C[6]C[6]2H)(CCCO)	C(OC[6])(CH3)2(OC)	C(CCOO)(H)3	O(C[6]C[6]2H)(CCCO)	108.9881	4.457	8	108.9881	19.868	8	108.9881	19.868	8	108.6158	15.273	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:3:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)2(CCH)	C(CCCO)(H)3	O(C[5]C[5]2H)(CC3)	C(OC[5])(CH3)2(CCH)	C(CCCO)(H)3	O(C[5]C[5]2H)(CC3)	107.2030	4.029	2	107.2030	16.234	2	106.7060	15.995	4	107.0912	12.738	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:3:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)2(CHH)	C(CCCO)(H)3	O(C[5]C[5]2Fe)(CC3)	C(OC[5])(CH3)2(CHH)	C(CCCO)(H)3	O(C[5]C[5]2Fe)(CC3)	106.2090	5.547	2	106.2090	30.764	2	106.7060	15.995	4	107.0912	12.738	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:3:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(CH3)(CCH)	C(CCCO)(H)3	O(C[6]C[6]2H)(CC3)	C(OC[6])(CCHO)(CH3)(CCH)	C(CCCO)(H)3	O(C[6]C[6]2H)(CC3)	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	107.0912	12.738	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:3:	4:4:2:1:	4:4:	O-2:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(CH3)(CCH)	C(CCCO)(CCHH)(OH)(H)	O(C[6]C[6]2H)(CC3)	C(OC[6])(CCHO)(CH3)(CCH)	C(CCCO)(CCHH)(OH)(H)	O(C[6]C[6]2H)(CC3)	112.7000	0.000	1	112.7000	0.000	1	112.7000	0.000	1	112.7000	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	3:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:	C(ON[6])(CH3)3	C(CCCO)(H)3	O(N[6]C[6]2)(CC3)	C(ON[6])(CH3)3	C(CCCO)(H)3	O(N[6]C[6]2)(CC3)	107.5053	4.999	3	107.5053	24.995	3	107.5053	24.995	3	107.5053	24.995	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:F-1:F-1:F-1:	In[6]-4:C-4:	C(OIn[6])(CCHH)(CF3)2	C(CCCO)(F)3	O(In[6]N[6]O[6]C)(CC3)	C(OIn[6])(CCHH)(CF3)2	C(CCCO)(F)3	O(In[6]N[6]O[6]C)(CC3)	107.9865	0.220	2	107.9865	0.048	2	107.9865	0.048	2	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:	C(OC[3])(CH3)3	C(CCCO)(H)3	O(C[3]C[3]2H)(CC3)	C(OC[3])(CH3)3	C(CCCO)(H)3	O(C[3]C[3]2H)(CC3)	106.6693	3.959	3	106.6693	15.671	3	106.6693	15.671	3	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:	C(OC[4])(CH3)3	C(CCCO)(H)3	O(C[4]C[4,5]C[4]H)(CC3)	C(OC[4])(CH3)3	C(CCCO)(H)3	O(C[4]C[4,5]C[4]H)(CC3)	107.7657	3.252	3	107.7657	10.572	3	107.9413	15.116	6	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:	C(OC[4])(CH3)3	C(CCCO)(H)3	O(C[4]C[4]2O)(CC3)	C(OC[4])(CH3)3	C(CCCO)(H)3	O(C[4]C[4]2O)(CC3)	108.1170	5.208	3	108.1170	27.124	3	107.9413	15.116	6	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:	C(OC[5,5])(CH3)3	C(CCCO)(H)3	O(C[5,5]C[5,5,6]2H)(CC3)	C(OC[5,5])(CH3)3	C(CCCO)(H)3	O(C[5,5]C[5,5,6]2H)(CC3)	108.0324	3.370	9	108.0324	11.354	9	108.0324	11.354	9	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C-4:	C(OC[5,6,6])(CH3)3	C(CCCO)(H)3	O(C[5,6,6]C[3,5,6,6]2C[5,6,6a])(CC3)	C(OC[5,6,6])(CH3)3	C(CCCO)(H)3	O(C[5,6,6]C[3,5,6,6]2C[5,6,6a])(CC3)	108.8777	6.169	3	108.8777	38.061	3	108.8777	38.061	3	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:	C(OC[5,6])(CH3)3	C(CCCO)(H)3	O(C[5,6]C[5,5,6]C[5,6]H)(CC3)	C(OC[5,6])(CH3)3	C(CCCO)(H)3	O(C[5,6]C[5,5,6]C[5,6]H)(CC3)	108.2071	3.706	12	108.2071	13.733	12	108.1499	13.676	27	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:	C(OC[5,6])(CH3)3	C(CCCO)(H)3	O(C[5,6]C[5,6,6]C[5,6]H)(CC3)	C(OC[5,6])(CH3)3	C(CCCO)(H)3	O(C[5,6]C[5,6,6]C[5,6]H)(CC3)	108.2647	4.175	3	108.2647	17.434	3	108.1499	13.676	27	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:	C(OC[5,6])(CH3)3	C(CCCO)(H)3	O(C[5,6]C[5,6]2H)(CC3)	C(OC[5,6])(CH3)3	C(CCCO)(H)3	O(C[5,6]C[5,6]2H)(CC3)	108.0641	3.925	12	108.0641	15.407	12	108.1499	13.676	27	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CCHH)(CH3)2	C(CCCO)(H)3	O(C[5]C[5]2H)(CC3)	C(OC[5])(CCHH)(CH3)2	C(CCCO)(H)3	O(C[5]C[5]2H)(CC3)	106.7400	3.252	4	106.7400	10.576	4	108.1708	13.063	76	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[4,5]C[5]H)(CC3)	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[4,5]C[5]H)(CC3)	108.8020	5.794	3	108.8020	33.566	3	108.1708	13.063	76	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5,5]C[5]H)(CC3)	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5,5]C[5]H)(CC3)	108.0192	3.744	9	108.0192	14.016	9	108.1708	13.063	76	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5,5a]C[5]H)(CC3)	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5,5a]C[5]H)(CC3)	108.6330	4.125	3	108.6330	17.014	3	108.1708	13.063	76	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5,6]C[5]H)(CC3)	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5,6]C[5]H)(CC3)	108.3539	3.424	27	108.3539	11.721	27	108.1708	13.063	76	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5,6a]C[5]H)(CC3)	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5,6a]C[5]H)(CC3)	108.1205	3.726	6	108.1205	13.883	6	108.1708	13.063	76	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5]2Fe)(CC3)	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5]2Fe)(CC3)	107.3053	5.077	3	107.3053	25.778	3	108.1708	13.063	76	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5]2H)(CC3)	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5]2H)(CC3)	108.2673	3.778	12	108.2673	14.272	12	108.1708	13.063	76	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5]O[5]H)(CC3)	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5]O[5]H)(CC3)	108.3585	4.102	6	108.3585	16.825	6	108.1708	13.063	76	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5]S[5]H)(CC3)	C(OC[5])(CH3)3	C(CCCO)(H)3	O(C[5]C[5]S[5]H)(CC3)	107.9960	5.200	3	107.9960	27.036	3	108.1708	13.063	76	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(CCHO)(CH3)	C(CCCO)(H)3	O(C[6]C[6]2H)(CC3)	C(OC[6])(CCHH)(CCHO)(CH3)	C(CCCO)(H)3	O(C[6]C[6]2H)(CC3)	107.1230	5.011	2	107.1230	25.106	2	106.9083	13.111	19	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(CH3)2	C(CCCO)(H)3	O(C[6]C[6]2H)(CC3)	C(OC[6])(CCHO)(CH3)2	C(CCCO)(H)3	O(C[6]C[6]2H)(CC3)	106.3699	3.164	12	106.3699	10.010	12	106.9083	13.111	19	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(CH3)2	C(CCCO)(H)3	O(C[6]C[6]O[6]H)(CC3)	C(OC[6])(CCHO)(CH3)2	C(CCCO)(H)3	O(C[6]C[6]O[6]H)(CC3)	107.7470	6.429	2	107.7470	41.332	2	106.9083	13.111	19	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CH3)3	C(CCCO)(H)3	O(C[6]C[6,6]O[6]H)(CC3)	C(OC[6])(CH3)3	C(CCCO)(H)3	O(C[6]C[6,6]O[6]H)(CC3)	108.3597	4.907	3	108.3597	24.083	3	106.9083	13.111	19	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[4]-4:C-4:	C(OGe[4])(CH3)3	C(CCCO)(H)3	O(Ge[4]N[4]2Se)(CC3)	C(OGe[4])(CH3)3	C(CCCO)(H)3	O(Ge[4]N[4]2Se)(CC3)	108.0737	3.339	3	108.0737	11.152	3	108.0737	11.152	3	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[5]-4:C-4:	C(OGe[5])(CH3)3	C(CCCO)(H)3	O(Ge[5]N[5]2O)(CC3)	C(OGe[5])(CH3)3	C(CCCO)(H)3	O(Ge[5]N[5]2O)(CC3)	107.3943	2.827	6	107.3943	7.990	6	108.0028	9.819	17	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[5]-4:C-4:	C(OGe[5])(CH3)3	C(CCCO)(H)3	O(Ge[5]N[5]2S)(CC3)	C(OGe[5])(CH3)3	C(CCCO)(H)3	O(Ge[5]N[5]2S)(CC3)	108.7373	3.916	3	108.7373	15.333	3	108.0028	9.819	17	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[5]-4:C-4:	C(OGe[5])(CH3)3	C(CCCO)(H)3	O(Ge[5]N[5]2Se)(CC3)	C(OGe[5])(CH3)3	C(CCCO)(H)3	O(Ge[5]N[5]2Se)(CC3)	107.9682	3.594	5	107.9682	12.914	5	108.0028	9.819	17	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[5]-4:C-4:	C(OGe[5])(CH3)3	C(CCCO)(H)3	O(Ge[5]N[5]2Te)(CC3)	C(OGe[5])(CH3)3	C(CCCO)(H)3	O(Ge[5]N[5]2Te)(CC3)	108.5430	3.880	3	108.5430	15.058	3	108.0028	9.819	17	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:	C(OP[5])(CCCO)(CH3)2	C(CCCO)(H)3	O(P[5]O[5]2Pd)(CC3)	C(OP[5])(CCCO)(CH3)2	C(CCCO)(H)3	O(P[5]O[5]2Pd)(CC3)	105.9705	3.546	2	105.9705	12.575	2	106.1877	7.815	4	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:	C(OP[5])(CCCO)(CH3)2	C(CCCO)(H)3	O(P[5]O[5]2Re)(CC3)	C(OP[5])(CCCO)(CH3)2	C(CCCO)(H)3	O(P[5]O[5]2Re)(CC3)	106.4050	3.268	2	106.4050	10.681	2	106.1877	7.815	4	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:	C(OSi[4])(CH3)3	C(CCCO)(H)3	O(Si[4]N[4]2Cu)(CC3)	C(OSi[4])(CH3)3	C(CCCO)(H)3	O(Si[4]N[4]2Cu)(CC3)	108.0717	2.490	3	108.0717	6.198	3	108.2657	8.476	15	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:	C(OSi[4])(CH3)3	C(CCCO)(H)3	O(Si[4]N[4]2Fe)(CC3)	C(OSi[4])(CH3)3	C(CCCO)(H)3	O(Si[4]N[4]2Fe)(CC3)	108.0307	3.466	6	108.0307	12.012	6	108.2657	8.476	15	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:	C(OSi[4])(CH3)3	C(CCCO)(H)3	O(Si[4]N[4]2Sm)(CC3)	C(OSi[4])(CH3)3	C(CCCO)(H)3	O(Si[4]N[4]2Sm)(CC3)	108.5978	3.003	6	108.5978	9.020	6	108.2657	8.476	15	107.9557	12.097	184	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	5:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	In[3x6]-5:C-4:	C(OIn[3x6])(CH3)3	C(CCCO)(H)3	O(In[3x6]N[6,6]2O[6]2)(CC3)	C(OIn[3x6])(CH3)3	C(CCCO)(H)3	O(In[3x6]N[6,6]2O[6]2)(CC3)	108.4063	3.002	3	108.4063	9.012	3	108.4063	9.012	3	108.2345	10.974	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	5:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[5,5]-5:C-4:	C(OP[5,5])(CH3)3	C(CCCO)(H)3	O(P[5,5]N[5,5]N[5]2H)(CC3)	C(OP[5,5])(CH3)3	C(CCCO)(H)3	O(P[5,5]N[5,5]N[5]2H)(CC3)	108.0627	4.282	3	108.0627	18.333	3	108.0627	18.333	3	108.2345	10.974	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:1:1:1:	6:4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:	C(OB[5x3,5x5,20x6])(CH3)3	C(CCCO)(H)3	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC3)	C(OB[5x3,5x5,20x6])(CH3)3	C(CCCO)(H)3	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC3)	107.7967	2.883	9	107.7967	8.313	9	107.7967	8.313	9	107.7967	8.313	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:3:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CCHH)(CH3)2	C(CCCO)(CCH)(H)2	O(C[5]C[5]2H)(CC3)	C(OC[5])(CCHH)(CH3)2	C(CCCO)(CCH)(H)2	O(C[5]C[5]2H)(CC3)	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	113.3865	9.483	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:3:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	In[6]-4:C-4:	C(OIn[6])(CCHH)(CF3)2	C(CCCO)(CCN)(H)2	O(In[6]N[6]O[6]C)(CC3)	C(OIn[6])(CCHH)(CF3)2	C(CCCO)(CCN)(H)2	O(In[6]N[6]O[6]C)(CC3)	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	113.3865	9.483	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:3:4:4:	4:4:	O-2:C-4:C-4:C-4:	C-4:O-3:C-4:C-4:	P[5]-4:C-4:	C(OP[5])(CCCO)(CH3)2	C(CCCO)(OPdH)(CH3)2	O(P[5]O[5]2Pd)(CC3)	C(OP[5])(CCCO)(CH3)2	C(CCCO)(OPdH)(CH3)2	O(P[5]O[5]2Pd)(CC3)	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:4:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:	C(OC[5])(CCHH)(CH3)2	C(CCCO)(CCHH)(H)2	O(C[5]C[5]2H)(CC3)	C(OC[5])(CCHH)(CH3)2	C(CCCO)(CCHH)(H)2	O(C[5]C[5]2H)(CC3)	111.8640	0.000	1	111.8640	0.000	1	111.8640	0.000	1	107.4057	30.475	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:4:1:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(CCHO)(CH3)	C(CCCO)(CCHH)(H)2	O(C[6]C[6]2H)(CC3)	C(OC[6])(CCHH)(CCHO)(CH3)	C(CCCO)(CCHH)(H)2	O(C[6]C[6]2H)(CC3)	105.1765	5.580	2	105.1765	31.134	2	105.1765	31.134	2	107.4057	30.475	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:4:2:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:	C(OC[6])(CCHH)(CCHO)(CH3)	C(CCCO)(CCHH)(OC)(H)	O(C[6]C[6]2H)(CC3)	C(OC[6])(CCHH)(CCHO)(CH3)	C(CCCO)(CCHH)(OC)(H)	O(C[6]C[6]2H)(CC3)	110.1665	1.541	2	110.1665	2.374	2	111.0137	4.708	9	111.0137	4.708	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:4:2:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(CH3)2	C(CCCO)(CCHH)(OC)(H)	O(C[6]C[6]2H)(CC3)	C(OC[6])(CCHO)(CH3)2	C(CCCO)(CCHH)(OC)(H)	O(C[6]C[6]2H)(CC3)	111.7790	0.000	1	111.7790	0.000	1	111.0137	4.708	9	111.0137	4.708	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:4:2:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(CH3)2	C(CCCO)(CCHH)(OH)(H)	O(C[6]C[6]2H)(CC3)	C(OC[6])(CCHO)(CH3)2	C(CCCO)(CCHH)(OH)(H)	O(C[6]C[6]2H)(CC3)	112.1914	0.659	5	112.1914	0.434	5	111.0137	4.708	9	111.0137	4.708	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:4:2:1:	4:4:	O-2:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:	C(OC[6])(CCHO)(CH3)2	C(CCCO)(CCHH)(OH)(H)	O(C[6]C[6]O[6]H)(CC3)	C(OC[6])(CCHO)(CH3)2	C(CCCO)(CCHH)(OH)(H)	O(C[6]C[6]O[6]H)(CC3)	106.0540	0.000	1	106.0540	0.000	1	111.0137	4.708	9	111.0137	4.708	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	2:4:4:4:	4:4:4:2:	4:4:	O-2:C-4:C-4:C-4:	C-4:C-4:C-4:O-2:	P[5]-4:C-4:	C(OP[5])(CCCO)(CH3)2	C(CCCO)(CH3)2(ORe)	O(P[5]O[5]2Re)(CC3)	C(OP[5])(CCCO)(CH3)2	C(CCCO)(CH3)2(ORe)	O(P[5]O[5]2Re)(CC3)	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	3:4:1:1:	3:4:	C-3:O-2:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5]-3:C-4:	C(CC[6a]O)(ON[5])(CHHN)(H)	C(NC[6a]C)(CCHO)(H)2	O(N[5]C[5]2)(CCCH)	C(CC[6a]O)(ON[5])(CHHN)(H)	C(NC[6a]C)(CCHO)(H)2	O(N[5]C[5]2)(CCCH)	106.0310	0.000	1	106.0310	0.000	1	106.0310	0.000	1	106.0310	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:1:1:1:	3:4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	C(CC[6a]HO)(H)3	O(N[5]B[5]P[5])(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	C(CC[6a]HO)(H)3	O(N[5]B[5]P[5])(CC[6a]CH)	114.7990	0.000	1	114.7990	0.000	1	109.2855	60.797	2	109.2855	60.797	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:1:1:1:	3:4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	C(CC[6a]HO)(H)3	O(N[5]C[5,6]C[5])(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	C(CC[6a]HO)(H)3	O(N[5]C[5,6]C[5])(CC[6a]CH)	103.7720	0.000	1	103.7720	0.000	1	109.2855	60.797	2	109.2855	60.797	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:1:1:1:	4:4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:	C(C[6a]C[6a]2)(OC[4])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[4]C[4,6]C[4]H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[4])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[4]C[4,6]C[4]H)(CC[6a]CH)	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	106.3667	5.536	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:1:1:1:	4:4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C-4:	C(C[6a]C[6a]2)(OC[5,6,6])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CC[6a]CH)	C(C[6a]C[6a]2)(OC[5,6,6])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CC[6a]CH)	108.9140	0.000	1	108.9140	0.000	1	108.9140	0.000	1	106.3667	5.536	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:1:1:1:	4:4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[5]C[5]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[5]C[5]2H)(CC[6a]CH)	108.0010	0.000	1	108.0010	0.000	1	106.7350	2.606	3	106.3667	5.536	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:1:1:1:	4:4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[5]C[5]N[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[5]C[5]N[5]H)(CC[6a]CH)	106.1020	1.676	2	106.1020	2.808	2	106.7350	2.606	3	106.3667	5.536	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:1:1:1:	4:4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[6]C[6]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[6]C[6]2H)(CC[6a]CH)	104.7082	1.602	5	104.7082	2.566	5	104.8250	2.135	6	106.3667	5.536	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:1:1:1:	4:4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[6]C[6]O[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C(CC[6a]HO)(H)3	O(C[6]C[6]O[6]H)(CC[6a]CH)	105.4090	0.000	1	105.4090	0.000	1	104.8250	2.135	6	106.3667	5.536	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:1:1:1:	4:4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:	C(C[6a]C[6a]2)(OP[5])(CH3)(H)	C(CC[6a]HO)(H)3	O(P[5]N[5]2Pd)(CC[6a]CH)	C(C[6a]C[6a]2)(OP[5])(CH3)(H)	C(CC[6a]HO)(H)3	O(P[5]N[5]2Pd)(CC[6a]CH)	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	106.3667	5.536	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:2:1:1:	3:4:	C[6a]-3:O-2:C-4:H-1:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	C(CC[6a]HO)(ON[5])(H)2	O(N[5]C[5]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	C(CC[6a]HO)(ON[5])(H)2	O(N[5]C[5]2)(CC[6a]CH)	105.3340	0.000	1	105.3340	0.000	1	105.3340	0.000	1	104.4022	1.450	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:2:1:1:	3:4:	C[6a]-3:O-2:C-4:H-1:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	C(CC[6a]HO)(OC)(H)2	O(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	C(CC[6a]HO)(OC)(H)2	O(N[6]C[6]2)(CC[6a]CH)	104.0917	1.263	3	104.0917	1.596	3	104.0917	1.596	3	104.4022	1.450	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:4:1:1:	3:4:	C[6a]-3:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	C(CC[6a]HO)(CC3)(H)2	O(N[5]C[5]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	C(CC[6a]HO)(CC3)(H)2	O(N[5]C[5]2)(CC[6a]CH)	103.9940	0.000	1	103.9940	0.000	1	103.9940	0.000	1	103.9940	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:4:1:1:	4:4:	C[6a]-3:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	C(CC[6a]HO)(CHHO)(H)2	O(C[6]C[6]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	C(CC[6a]HO)(CHHO)(H)2	O(C[6]C[6]2H)(CC[6a]CH)	107.9830	0.000	1	107.9830	0.000	1	107.9830	0.000	1	107.9830	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:4:3:1:	3:4:	C[6a]-3:O-2:C-4:H-1:	C-4:C-4:N-3:H-1:	N[6]-3:C-4:	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	C(CC[6a]HO)(CH3)(NSS)(H)	O(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	C(CC[6a]HO)(CH3)(NSS)(H)	O(N[6]C[6]2)(CC[6a]CH)	100.9300	0.110	2	100.9300	0.012	2	100.9300	0.012	2	100.9300	0.012	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:4:3:1:	4:4:	C[6a]-3:O-2:C-4:H-1:	C-4:C-4:N-3:H-1:	C[3]-4:C-4:	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	O(C[3]C[3]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	O(C[3]C[3]2H)(CC[6a]CH)	110.6863	0.557	3	110.6863	0.311	3	110.6863	0.311	3	109.7850	3.457	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:1:	4:4:3:1:	4:4:	C[6a]-3:O-2:C-4:H-1:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	C(CC[6a]HO)(CH3)(NOO)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	C(CC[6a]HO)(CH3)(NOO)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	107.0810	0.000	1	107.0810	0.000	1	107.0810	0.000	1	109.7850	3.457	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:2:	4:4:1:1:	4:4:	C[6a]-3:O-2:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	C(CC[6a]OO)(CH3)(H)2	O(CC[6a]CO)(CCCH)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	C(CC[6a]OO)(CH3)(H)2	O(CC[6a]CO)(CCCH)	105.5855	0.593	2	105.5855	0.352	2	105.5855	0.352	2	105.5855	0.352	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:4:	4:1:1:1:	3:4:	C[6a]-3:O-2:C-4:C-4:	C-4:F-1:F-1:F-1:	N[6]-3:C-4:	C(C[6a]C[6a]2)(ON[6])(CF3)(CH3)	C(CC[6a]CO)(F)3	O(N[6]C[6]2)(CC[6a]CC)	C(C[6a]C[6a]2)(ON[6])(CF3)(CH3)	C(CC[6a]CO)(F)3	O(N[6]C[6]2)(CC[6a]CC)	103.5810	0.000	1	103.5810	0.000	1	103.5810	0.000	1	109.0295	59.372	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:4:	4:1:1:1:	3:4:	C[6a]-3:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:	C(C[6a]C[6a]2)(ON[6])(CF3)(CH3)	C(CC[6a]CO)(H)3	O(N[6]C[6]2)(CC[6a]CC)	C(C[6a]C[6a]2)(ON[6])(CF3)(CH3)	C(CC[6a]CO)(H)3	O(N[6]C[6]2)(CC[6a]CC)	114.4780	0.000	1	114.4780	0.000	1	114.4780	0.000	1	109.0295	59.372	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:2:4:4:	4:1:1:1:	4:4:	C[5]-3:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:	C(C[5]N[5]O[5])(OP[6])(CH3)2	C(CC[5]CO)(H)3	O(P[6]C[6,6a]O[6]Pd)(CC[5]CC)	C(C[5]N[5]O[5])(OP[6])(CH3)2	C(CC[5]CO)(H)3	O(P[6]C[6,6a]O[6]Pd)(CC[5]CC)	107.8828	3.857	12	107.8828	14.877	12	107.8828	14.877	12	107.8828	14.877	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:3:4:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	N[5a]-3:N[5a]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CN[5a]2H)(OH)	C(N[5a]C[5a]N[5a])2(CC[6a]2O)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CN[5a]2H)(OH)	C(N[5a]C[5a]N[5a])2(CC[6a]2O)(H)	O(CC[6a]2C)(H)	109.9510	0.000	1	109.9510	0.000	1	109.9510	0.000	1	109.9510	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:3:4:2:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2O)(OH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2O)(OH)	O(CC[6a]2C)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2O)(OH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2O)(OH)	O(CC[6a]2C)(H)	108.2030	0.810	2	108.2030	0.657	2	105.2848	3.983	10	105.2848	3.983	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:3:4:2:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	C(C[6a]C[6a]2)2(CC[6a]2O)(OH)	O(CC[6a]2C)(H)	104.5553	1.409	8	104.5553	1.986	8	105.2848	3.983	10	105.2848	3.983	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(H)2	O(CC[6a]2C)(H)	109.1250	0.478	2	109.1250	0.228	2	108.9047	0.121	7	108.8275	0.151	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]2O)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]2O)(H)2	O(CC[6a]2C)(H)	108.8166	0.300	5	108.8166	0.090	5	108.9047	0.121	7	108.8275	0.151	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CN[5a]HH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]2O)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CN[5a]HH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]2O)(H)2	O(CC[6a]2C)(H)	108.2870	0.000	1	108.2870	0.000	1	108.2870	0.000	1	108.8275	0.151	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:4:2:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6]HO)(OH)	C(C[6]C[6]2)(CC[6a]2O)(OH)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6]HO)(OH)	C(C[6]C[6]2)(CC[6a]2O)(OH)(H)	O(CC[6a]2C)(H)	109.6150	0.000	1	109.6150	0.000	1	109.6150	0.000	1	109.4052	0.138	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:4:2:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]HO)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(OH)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]HO)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(OH)(H)	O(CC[6a]2C)(H)	109.3353	0.421	3	109.3353	0.177	3	109.3353	0.177	3	109.4052	0.138	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:4:3:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:S-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]HS)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(SC[6a]O)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]HS)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(SC[6a]O)(H)	O(CC[6a]2C)(H)	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:4:4:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(CCCH)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(CCCH)(H)	O(CC[6a]2C)(H)	110.9280	0.000	1	110.9280	0.000	1	109.2947	1.409	24	109.2947	1.409	24	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:4:4:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	O(CC[6a]2C)(H)	109.2146	1.216	21	109.2146	1.478	21	109.2947	1.409	24	109.2947	1.409	24	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:4:4:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(H)	O(CC[6a]2C)(H)	109.1840	0.000	1	109.1840	0.000	1	109.2947	1.409	24	109.2947	1.409	24	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:4:4:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(CSiHH)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(CSiHH)(H)	O(CC[6a]2C)(H)	109.4530	0.000	1	109.4530	0.000	1	109.2947	1.409	24	109.2947	1.409	24	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:4:4:1:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:P-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(OP)	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	O(CC[6a]2C)(PO3)	C(C[6a]C[6a]2)2(CC[6a]CH)(OP)	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	O(CC[6a]2C)(PO3)	106.6760	0.000	1	106.6760	0.000	1	106.6760	0.000	1	106.6760	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:4:4:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(CF3)(CH3)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(CF3)(CH3)	O(CC[6a]2C)(H)	102.7390	0.000	1	102.7390	0.000	1	105.2780	7.381	3	105.2780	7.381	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:4:4:4:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(CH3)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(CH3)	O(CC[6a]2C)(H)	106.5475	2.256	2	106.5475	5.091	2	105.2780	7.381	3	105.2780	7.381	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	3:4:4:4:	4:4:	C[5a]-3:C[5a]-3:C-4:O-2:	C[5a]-3:C-4:C-4:C-4:	C-4:C-4:	C(C[5a]N[5a]2)2(CC[5a]CC)(OC)	C(C[5a]C[5a]N[5a])(CC[5a]2O)(CH3)2	O(CC[5a]2C)(CH3)	C(C[5a]N[5a]2)2(CC[5a]CC)(OC)	C(C[5a]C[5a]N[5a])(CC[5a]2O)(CH3)2	O(CC[5a]2C)(CH3)	104.8680	0.000	2	104.8680	0.000	2	104.8680	0.000	2	104.8680	0.000	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[5]-3:C[5]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]S[5])2(CH3)(OH)	C(CC[5]2O)(H)3	O(CC[5]2C)(H)	C(C[5]C[5]S[5])2(CH3)(OH)	C(CC[5]2O)(H)3	O(CC[5]2C)(H)	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	106.4749	9.349	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[5]-3:C[6a]-3:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CF3)(OH)	C(CC[6a]C[5]O)(F)3	O(CC[6a]C[5]C)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CF3)(OH)	C(CC[6a]C[5]O)(F)3	O(CC[6a]C[5]C)(H)	105.4230	0.000	1	105.4230	0.000	1	105.4230	0.000	1	106.4749	9.349	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[5a]-3:C[5a]-3:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(CF3)(OH)	C(CC[5a]2O)(F)3	O(CC[5a]2C)(H)	C(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(CF3)(OH)	C(CC[5a]2O)(F)3	O(CC[5a]2C)(H)	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1	106.4749	9.349	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[5a]-3:C[6a]-3:C-4:O-2:	C-4:Br-1:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CBrHH)(OH)	C(CC[5a]C[6a]O)(Br)(H)2	O(CC[5a]C[6a]C)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CBrHH)(OH)	C(CC[5a]C[6a]O)(Br)(H)2	O(CC[5a]C[6a]C)(H)	110.0990	0.000	1	110.0990	0.000	1	110.0990	0.000	1	106.4749	9.349	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[5a]-3:C[6a]-3:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CF3)(OH)	C(CC[5a]C[6a]O)(F)3	O(CC[5a]C[6a]C)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CF3)(OH)	C(CC[5a]C[6a]O)(F)3	O(CC[5a]C[6a]C)(H)	106.3380	0.000	1	106.3380	0.000	1	106.3380	0.000	1	106.4749	9.349	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6]-3:C[6]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]N[6])2(CH3)(OH)	C(CC[6]2O)(H)3	O(CC[6]2C)(H)	C(C[6]C[6]N[6])2(CH3)(OH)	C(CC[6]2O)(H)3	O(CC[6]2C)(H)	108.3120	2.468	5	108.3120	6.090	5	108.3120	6.090	5	106.4749	9.349	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-3:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5a]O)(CF3)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CF3)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	106.4749	9.349	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CF3)(OH)	C(CC[6a]2O)(F)3	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CF3)(OH)	C(CC[6a]2O)(F)3	O(CC[6a]2C)(H)	103.0500	0.996	2	103.0500	0.991	2	103.0500	0.991	2	106.4749	9.349	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CH3)(OH)	C(CC[6a]2O)(H)3	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CH3)(OH)	C(CC[6a]2O)(H)3	O(CC[6a]2C)(H)	106.2570	2.074	6	106.2570	4.303	6	106.2570	4.303	6	106.4749	9.349	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:1:	C[6a]-3:N[5]-3:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CF3)(OH)	C(CC[6a]N[5]O)(F)3	O(CC[6a]N[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CF3)(OH)	C(CC[6a]N[5]O)(F)3	O(CC[6a]N[5]C)(H)	102.1233	0.694	3	102.1233	0.482	3	102.1233	0.482	3	106.4749	9.349	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:4:	C[5]-3:C[5]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[5]N[5]2)2(CH3)(OC)	C(CC[5]2O)(H)3	O(CC[5]2C)(CH3)	C(C[5]N[5]2)2(CH3)(OC)	C(CC[5]2O)(H)3	O(CC[5]2C)(CH3)	106.6690	0.000	1	106.6690	0.000	1	106.6690	0.000	1	108.1641	3.797	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:4:	C[6]-3:C[6]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6]C[6]N[6])2(CH3)(OC)	C(CC[6]2O)(H)3	O(CC[6]2C)(CH3)	C(C[6]C[6]N[6])2(CH3)(OC)	C(CC[6]2O)(H)3	O(CC[6]2C)(CH3)	104.8050	0.000	1	104.8050	0.000	1	104.8050	0.000	1	108.1641	3.797	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:4:	C[6]-3:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(OC)	C(CC[6a]C[6]O)(H)3	O(CC[6a]C[6]C)(CCHH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(OC)	C(CC[6a]C[6]O)(H)3	O(CC[6a]C[6]C)(CCHH)	110.6155	0.366	2	110.6155	0.134	2	110.6155	0.134	2	108.1641	3.797	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:4:	C[6]-3:O-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6]C[6]N[6])(OPdC)(CH3)(OC)	C(CC[6]OO)(H)3	O(CC[6]CO)(CH3)	C(C[6]C[6]N[6])(OPdC)(CH3)(OC)	C(CC[6]OO)(H)3	O(CC[6]CO)(CH3)	106.6610	0.218	5	106.6610	0.047	5	106.6610	0.047	5	108.1641	3.797	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:4:	C[6a]-3:C-3:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(C[6a]C[6a]2)(CN[4]O)(CF3)(OC)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CN[4]O)(CF3)(OC)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(CH3)	109.0710	1.187	2	109.0710	1.408	2	108.3586	1.268	5	108.1641	3.797	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:4:	C[6a]-3:C-3:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5a]O)(CF3)(OC)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CN[5a]O)(CF3)(OC)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(CH3)	108.9660	0.000	1	108.9660	0.000	1	108.3586	1.268	5	108.1641	3.797	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:4:	C[6a]-3:C-3:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(C[6a]C[6a]2)(CN[6]O)(CF3)(OC)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CN[6]O)(CF3)(OC)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(CH3)	107.3425	0.466	2	107.3425	0.217	2	108.3586	1.268	5	108.1641	3.797	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(OC)	C(CC[6a]2O)(H)3	O(CC[6a]2C)(CCHH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(OC)	C(CC[6a]2O)(H)3	O(CC[6a]2C)(CCHH)	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	108.1641	3.797	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:Ga-4:	C(C[6a]C[6a]2)2(CH3)(OGa)	C(CC[6a]2O)(H)3	O(CC[6a]2C)(GaC[6]CC)	C(C[6a]C[6a]2)2(CH3)(OGa)	C(CC[6a]2O)(H)3	O(CC[6a]2C)(GaC[6]CC)	109.9700	0.000	1	109.9700	0.000	1	109.9700	0.000	1	108.1641	3.797	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:1:1:1:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:In-4:	C(C[6a]C[6a]2)2(CH3)(OIn)	C(CC[6a]2O)(H)3	O(CC[6a]2C)(InC[6]CC)	C(C[6a]C[6a]2)2(CH3)(OIn)	C(CC[6a]2O)(H)3	O(CC[6a]2C)(InC[6]CC)	111.9360	0.000	1	111.9360	0.000	1	111.9360	0.000	1	108.1641	3.797	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:2:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-2:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CC)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CC)(H)2	O(CC[6a]2C)(H)	107.4473	0.648	3	107.4473	0.420	3	107.2905	0.378	4	107.2905	0.378	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:2:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-2:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CRe)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CRe)(H)2	O(CC[6a]2C)(H)	106.8200	0.000	1	106.8200	0.000	1	107.2905	0.378	4	107.2905	0.378	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-3:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(CHHN)(OH)	C(CC[6a]CO)(NC[6a]H)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CHHN)(OH)	C(CC[6a]CO)(NC[6a]H)(H)2	O(CC[6a]CC)(H)	109.7230	0.000	1	109.7230	0.000	1	109.7230	0.000	1	109.1849	1.667	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6a]-3:C[6]-3:C-4:O-2:	C-4:C[6a]-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]HH)(OH)	C(CC[6a]C[6]O)(C[6a]C[6a]2)(H)2	O(CC[6a]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]HH)(OH)	C(CC[6a]C[6]O)(C[6a]C[6a]2)(H)2	O(CC[6a]C[6]C)(H)	110.4750	0.443	2	110.4750	0.196	2	110.4750	0.196	2	109.1849	1.667	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-3:F-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCFH)(OH)	C(CC[6a]2O)(CC[6a]O)(F)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCFH)(OH)	C(CC[6a]2O)(CC[6a]O)(F)(H)	O(CC[6a]2C)(H)	108.1420	0.000	1	108.1420	0.000	1	108.1420	0.000	1	109.1849	1.667	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CCO)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CCO)(H)2	O(CC[6a]2C)(H)	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	109.1849	1.667	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CHHN)(OH)	C(CC[6a]2O)(NCC)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CHHN)(OH)	C(CC[6a]2O)(NCC)(H)2	O(CC[6a]2C)(H)	107.3530	0.730	2	107.3530	0.533	2	108.4892	2.001	4	109.1849	1.667	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:3:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CHHN)(OH)	C(CC[6a]2O)(NCH)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CHHN)(OH)	C(CC[6a]2O)(NCH)(H)2	O(CC[6a]2C)(H)	109.6255	0.552	2	109.6255	0.305	2	108.4892	2.001	4	109.1849	1.667	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:3:4:4:	4:1:	C[5]-3:C[5]-3:C-4:O-2:	C-4:S-3:C-4:C-4:	C-4:H-1:	C(C[5]N[5]2)2(CCCS)(OH)	C(CC[5]2O)(SCuC)(CH3)2	O(CC[5]2C)(H)	C(C[5]N[5]2)2(CCCS)(OH)	C(CC[5]2O)(SCuC)(CH3)2	O(CC[5]2C)(H)	105.0140	0.000	1	105.0140	0.000	1	105.0140	0.000	1	105.0140	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:3:4:4:	4:4:	C[5]-3:C[5]-3:C-4:O-2:	C-4:S-3:C-4:C-4:	C-4:C-4:	C(C[5]N[5]2)2(CCCS)(OC)	C(CC[5]2O)(SCuC)(CH3)2	O(CC[5]2C)(CH3)	C(C[5]N[5]2)2(CCCS)(OC)	C(CC[5]2O)(SCuC)(CH3)2	O(CC[5]2C)(CH3)	105.0190	0.000	1	105.0190	0.000	1	105.0190	0.000	1	105.0190	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[5a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(OH)	C(CC[5a]C[6a]O)(CN[6]HH)(H)2	O(CC[5a]C[6a]C)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(OH)	C(CC[5a]C[6a]O)(CN[6]HH)(H)2	O(CC[5a]C[6a]C)(H)	108.7275	0.281	2	108.7275	0.079	2	108.7275	0.079	2	108.2050	3.766	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[5a]-3:C-4:O-2:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(OH)	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]O)(H)2	O(CC[5a]C[6a]C)(H)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(OH)	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]O)(H)2	O(CC[5a]C[6a]C)(H)	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	108.2050	3.766	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CCHH)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CCHH)(H)2	O(CC[6a]2C)(H)	107.9248	1.834	8	107.9248	3.362	8	107.6973	5.002	15	108.2050	3.766	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CCHO)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CCHO)(H)2	O(CC[6a]2C)(H)	109.0350	0.000	1	109.0350	0.000	1	107.6973	5.002	15	108.2050	3.766	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CC[6a]HH)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CC[6a]HH)(H)2	O(CC[6a]2C)(H)	110.1730	0.000	1	110.1730	0.000	1	107.6973	5.002	15	108.2050	3.766	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CClHH)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CClHH)(H)2	O(CC[6a]2C)(H)	108.5960	0.000	1	108.5960	0.000	1	107.6973	5.002	15	108.2050	3.766	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CCo2C)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CCo2C)(H)2	O(CC[6a]2C)(H)	103.4820	0.072	2	103.4820	0.005	2	107.6973	5.002	15	108.2050	3.766	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CN[6]HH)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CN[6]HH)(H)2	O(CC[6a]2C)(H)	108.6465	0.037	2	108.6465	0.001	2	107.6973	5.002	15	108.2050	3.766	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:P-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CHHP)(OH)	C(CC[6a]2O)(PBCC)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CHHP)(OH)	C(CC[6a]2O)(PBCC)(H)2	O(CC[6a]2C)(H)	109.0490	0.000	1	109.0490	0.000	1	109.0503	0.114	4	108.2050	3.766	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:P-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CHHP)(OH)	C(CC[6a]2O)(PCCS)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CHHP)(OH)	C(CC[6a]2O)(PCCS)(H)2	O(CC[6a]2C)(H)	109.2730	0.000	1	109.2730	0.000	1	109.0503	0.114	4	108.2050	3.766	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:P-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CHHP)(OH)	C(CC[6a]2O)(PC[6a]BC)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CHHP)(OH)	C(CC[6a]2O)(PC[6a]BC)(H)2	O(CC[6a]2C)(H)	108.9395	0.517	2	108.9395	0.267	2	109.0503	0.114	4	108.2050	3.766	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CC[5]HH)(OH)	C(C[5]O[5]2C)(CC[6a]2O)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CC[5]HH)(OH)	C(C[5]O[5]2C)(CC[6a]2O)(H)2	O(CC[6a]2C)(H)	109.6620	0.000	1	109.6620	0.000	1	109.6620	0.000	1	108.2050	3.766	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:1:1:	4:4:	C[6]-3:C[6]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(C[6]C[6]N[6])2(CCHH)(OC)	C(CC[6]2O)(CH3)(H)2	O(CC[6a]HH)(CC[6]2C)	C(C[6]C[6]N[6])2(CCHH)(OC)	C(CC[6]2O)(CH3)(H)2	O(CC[6a]HH)(CC[6]2C)	104.8410	0.000	1	104.8410	0.000	1	104.8410	0.000	1	108.8360	12.223	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:1:1:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]N[6a])2(CCHH)(OC)	C(CC[6a]2O)(CH3)(H)2	O(CC[6a]2C)(CH3)	C(C[6a]C[6a]N[6a])2(CCHH)(OC)	C(CC[6a]2O)(CH3)(H)2	O(CC[6a]2C)(CH3)	111.3360	0.000	1	111.3360	0.000	1	111.3360	0.000	1	108.8360	12.223	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:1:1:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:S-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)2(CHHS)(OC)	C(CC[6a]2O)(SC[6a]OO)(H)2	O(CC[6a]2C)(CH3)	C(C[6a]C[6a]2)2(CHHS)(OC)	C(CC[6a]2O)(SC[6a]OO)(H)2	O(CC[6a]2C)(CH3)	110.3310	0.000	1	110.3310	0.000	1	110.3310	0.000	1	108.8360	12.223	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:2:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:N-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHN)(OH)	C(CC[6a]2O)(CCCH)(NC)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C(CC[6a]2O)(CCCH)(NC)(H)	O(CC[6a]2C)(H)	109.4050	0.000	1	109.4050	0.000	1	108.5217	0.712	4	108.9047	0.580	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:2:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:N-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHN)(OH)	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	O(CC[6a]2C)(H)	108.2273	0.740	3	108.2273	0.547	3	108.5217	0.712	4	108.9047	0.580	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:2:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHO)(OH)	C(CC[6a]2O)(CCHO)(OH)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHO)(OH)	C(CC[6a]2O)(CCHO)(OH)(H)	O(CC[6a]2C)(H)	109.1600	0.649	6	109.1600	0.422	6	109.1600	0.422	6	108.9047	0.580	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:2:1:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:N-2:H-1:	C-4:C-4:	C(C[6a]C[6a]2)2(CCHN)(OC)	C(CC[6a]2O)(CCHH)(NS)(H)	O(CC[6a]2C)(CHHO)	C(C[6a]C[6a]2)2(CCHN)(OC)	C(CC[6a]2O)(CCHH)(NS)(H)	O(CC[6a]2C)(CHHO)	110.7200	0.000	1	110.7200	0.000	1	110.7200	0.000	1	110.7200	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHN)(OH)	C(CC[6a]2O)(CCHH)(NCH)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C(CC[6a]2O)(CCHH)(NCH)(H)	O(CC[6a]2C)(H)	104.8087	4.896	3	104.8087	23.966	3	106.2686	10.216	9	106.2686	10.216	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHN)(OH)	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	O(CC[6a]2C)(H)	106.7738	2.774	4	106.7738	7.694	4	106.2686	10.216	9	106.2686	10.216	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCHN)(OH)	C(CC[6a]2O)(CC[6a]HH)(NHS)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C(CC[6a]2O)(CC[6a]HH)(NHS)(H)	O(CC[6a]2C)(H)	107.4480	0.718	2	107.4480	0.516	2	106.2686	10.216	9	106.2686	10.216	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:4:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CCCH)(OH)	C(CC[6a]2O)(CCHH)(CH3)(H)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CCCH)(OH)	C(CC[6a]2O)(CCHH)(CH3)(H)	O(CC[6a]2C)(H)	109.3145	1.834	2	109.3145	3.362	2	109.3145	3.362	2	109.3145	3.362	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	4:4:4:2:	4:4:	C[5]-3:C[5]-3:C-4:O-2:	C-4:C-4:C-4:S-2:	C-4:C-4:	C(C[5]N[5]2)2(CCCS)(OC)	C(CC[5]2O)(CH3)2(SS)	O(CC[5]2C)(CH3)	C(C[5]N[5]2)2(CCCS)(OC)	C(CC[5]2O)(CH3)2(SS)	O(CC[5]2C)(CH3)	105.4830	0.000	1	105.4830	0.000	1	105.4830	0.000	1	105.4830	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	5:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	As[5,5]-5:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CAs[5,5]HH)(OH)	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CAs[5,5]HH)(OH)	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	O(CC[6a]2C)(H)	110.7780	0.000	1	110.7780	0.000	1	110.7780	0.000	1	111.6500	0.854	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:3:4:2:	5:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:O-2:	P[5,5]-5:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(CP[5,5]HH)(OH)	C(P[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)2(CP[5,5]HH)(OH)	C(P[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	O(CC[6a]2C)(H)	112.0860	0.754	2	112.0860	0.568	2	112.0860	0.568	2	111.6500	0.854	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:3:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	O(CC[6a]CH)(H)	111.2730	0.000	1	111.2730	0.000	1	111.2730	0.000	1	109.5475	1.549	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:3:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(OH)(H)	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(OH)(H)	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	O(CC[6a]CH)(H)	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	109.5475	1.549	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:3:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:N[5a]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]2H)(OH)(H)	C(N[5a]C[5a]N[5a])2(CC[6a]HO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[5a]2H)(OH)(H)	C(N[5a]C[5a]N[5a])2(CC[6a]HO)(H)	O(CC[6a]CH)(H)	109.3080	0.000	2	109.3080	0.000	2	109.3080	0.000	2	109.5475	1.549	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:3:4:2:	4:1:	C[6]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:H-1:	C(C[6]C[6]2)(CC[6a]2O)(OH)(H)	C(C[6a]C[6a]2)2(CC[6]HO)(OH)	O(CC[6]CH)(H)	C(C[6]C[6]2)(CC[6a]2O)(OH)(H)	C(C[6a]C[6a]2)2(CC[6]HO)(OH)	O(CC[6]CH)(H)	107.1260	0.000	1	107.1260	0.000	1	107.1260	0.000	1	107.6052	0.430	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:3:4:2:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]2O)(OH)(H)	C(C[6a]C[6a]2)2(CC[6a]HO)(OH)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]2O)(OH)(H)	C(C[6a]C[6a]2)2(CC[6a]HO)(OH)	O(CC[6a]CH)(H)	107.7650	0.702	3	107.7650	0.492	3	107.7650	0.492	3	107.6052	0.430	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C-3:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]O)(CCHH)(OH)(H)	C(CC[6a]O)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]O)(CCHH)(OH)(H)	C(CC[6a]O)(CCHO)(H)2	O(CCCH)(H)	111.0863	0.006	3	111.0863	0.000	3	111.0863	0.000	3	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[5]N[5]2)(CC[5]HH)(OH)(H)	C(C[5]N[5]2)(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]N[5]2)(CC[5]HH)(OH)(H)	C(C[5]N[5]2)(CC[5]HO)(H)2	O(CC[5]CH)(H)	108.1230	0.000	1	108.1230	0.000	1	108.1230	0.000	1	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[5a]HO)(H)2	O(CC[5a]CH)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[5a]HO)(H)2	O(CC[5a]CH)(H)	108.7875	4.228	2	108.7875	17.874	2	108.7875	17.874	2	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	O(CC[5a]CH)(H)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	O(CC[5a]CH)(H)	109.4430	0.000	1	109.4430	0.000	1	109.4430	0.000	1	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	106.0210	0.000	1	106.0210	0.000	1	106.0210	0.000	1	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C(C[5a]C[5a]O[5a])(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C(C[5a]C[5a]O[5a])(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	112.0900	0.000	1	112.0900	0.000	1	110.2410	6.838	2	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C(C[5a]N[5a]S[5a])(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C(C[5a]N[5a]S[5a])(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	108.3920	0.000	1	108.3920	0.000	1	110.2410	6.838	2	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a,6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	106.9980	0.000	1	106.9980	0.000	1	109.2164	5.760	11	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	107.4390	0.000	1	107.4390	0.000	1	109.2164	5.760	11	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	109.5386	2.471	7	109.5386	6.108	7	109.2164	5.760	11	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	107.7810	0.000	1	107.7810	0.000	1	109.2164	5.760	11	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]N[6a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]N[6a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	112.3920	0.000	1	112.3920	0.000	1	109.2164	5.760	11	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5]HH)(OH)(H)	C(N[5]C[5]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[5]HH)(OH)(H)	C(N[5]C[5]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	106.3720	0.255	2	106.3720	0.065	2	106.3720	0.065	2	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	108.6260	0.000	1	108.6260	0.000	1	109.4558	0.772	5	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	109.6570	0.000	1	109.6570	0.000	1	109.4558	0.772	5	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	109.6653	1.055	3	109.6653	1.114	3	109.4558	0.772	5	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	109.1720	0.000	1	109.1720	0.000	1	109.1720	0.000	1	109.1544	4.508	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:4:	C[5a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(CC[5a]HO)(H)2	O(CC[5a]CH)(CC[6a]HH)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(CC[5a]HO)(H)2	O(CC[5a]CH)(CC[6a]HH)	106.1010	0.000	1	106.1010	0.000	1	105.9508	0.046	5	105.7677	1.229	39	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:4:	C[5a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	O(CC[5a]CH)(CC[6a]HH)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	O(CC[5a]CH)(CC[6a]HH)	105.9270	0.000	1	105.9270	0.000	1	105.9508	0.046	5	105.7677	1.229	39	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:4:	C[5a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	O(CC[5a]CH)(CC[6a]HH)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	O(CC[5a]CH)(CC[6a]HH)	105.9087	0.280	3	105.9087	0.078	3	105.9508	0.046	5	105.7677	1.229	39	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	C(C[5]C[5,6a]C[5])(CC[6a]HO)(H)2	O(CC[6a]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	C(C[5]C[5,6a]C[5])(CC[6a]HO)(H)2	O(CC[6a]2H)(CC[6a]CH)	107.6100	0.525	2	107.6100	0.275	2	107.6100	0.275	2	105.7677	1.229	39	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	O(C[6]C[6,6a]O[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	O(C[6]C[6,6a]O[6]H)(CC[6a]CH)	106.1895	0.370	2	106.1895	0.137	2	106.1895	0.137	2	105.7677	1.229	39	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)2	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)2	106.2905	0.244	2	106.2905	0.060	2	106.2905	0.060	2	105.7677	1.229	39	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	C(N[5]C[5]2)(CC[6a]HO)(H)2	O(CC[5a]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	C(N[5]C[5]2)(CC[6a]HO)(H)2	O(CC[5a]HH)(CC[6a]CH)	105.5760	0.000	1	105.5760	0.000	1	105.1782	0.344	5	105.7677	1.229	39	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	C(N[5]C[5]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	C(N[5]C[5]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(CC[6a]HH)	105.0787	0.627	4	105.0787	0.393	4	105.1782	0.344	5	105.7677	1.229	39	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HO)(H)2	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HO)(H)2	O(CC[6a]CH)(CC[6a]HH)	105.7979	0.515	7	105.7979	0.266	7	105.6137	1.569	23	105.7677	1.229	39	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	O(CC[6a]CH)(CC[6a]HH)	105.7323	2.195	3	105.7323	4.817	3	105.6137	1.569	23	105.7677	1.229	39	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	O(CC[5a]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	O(CC[5a]HH)(CC[6a]CH)	105.4360	0.000	1	105.4360	0.000	1	105.6137	1.569	23	105.7677	1.229	39	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(CCHH)	101.1470	0.000	1	101.1470	0.000	1	105.6137	1.569	23	105.7677	1.229	39	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	O(CC[6a]CH)(CC[6a]HH)	105.9586	0.535	8	105.9586	0.286	8	105.6137	1.569	23	105.7677	1.229	39	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	O(CC[6a]CH)(CC[6a]HH)	105.6933	0.157	3	105.6933	0.025	3	105.6137	1.569	23	105.7677	1.229	39	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	2:4:	N-3:C-4:O-2:H-1:	N-3:C-4:O-2:H-1:	O-2:C-4:	C(NC[6a]H)(CHNO)(OO)(H)	C(NC[6a]H)(CHNO)(OO)(H)	O(OC[6])(CCHN)	C(NC[6a]H)(CHNO)(OO)(H)	C(NC[6a]H)(CHNO)(OO)(H)	O(OC[6])(CCHN)	112.4557	0.591	4	112.4557	0.349	4	112.4557	0.349	4	112.4557	0.349	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	3:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-2:H-1:	N[6]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	O(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	O(N[6]C[6]2)(CC[6a]CH)	105.5060	0.000	1	105.5060	0.000	1	105.5060	0.000	1	105.5060	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:1:	C[5,6]-3:C-4:O-2:H-1:	C[5,6]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	O(CC[5,6]CH)(H)	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	O(CC[5,6]CH)(H)	106.5085	0.821	2	106.5085	0.674	2	106.5085	0.674	2	108.2865	4.268	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:1:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	108.6980	1.746	4	108.6980	3.049	4	108.8234	2.365	5	108.2865	4.268	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:1:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C(C[5]N[5]2)(CC[5]HO)(ONi)(H)	O(CC[5]CH)(H)	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C(C[5]N[5]2)(CC[5]HO)(ONi)(H)	O(CC[5]CH)(H)	109.3250	0.000	1	109.3250	0.000	1	108.8234	2.365	5	108.2865	4.268	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OH)(H)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OH)(H)	O(CC[5a]CH)(H)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OH)(H)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OH)(H)	O(CC[5a]CH)(H)	107.8160	0.953	2	107.8160	0.909	2	107.8160	0.909	2	108.2865	4.268	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:	C(C[5a]N[5a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	O(CC[5a]CH)(H)	C(C[5a]N[5a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	O(CC[5a]CH)(H)	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	108.2865	4.268	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	O(CC[6a]CH)(H)	107.6023	1.734	6	107.6023	3.008	6	107.6023	3.008	6	108.2865	4.268	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	O(CC[6a]CH)(H)	109.3991	2.559	7	109.3991	6.549	7	109.3991	6.549	7	108.2865	4.268	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(H)	112.5930	0.000	1	112.5930	0.000	1	107.8018	4.124	11	108.2865	4.268	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(H)	108.0773	1.931	3	108.0773	3.729	3	107.8018	4.124	11	108.2865	4.268	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(H)	106.7623	0.864	6	106.7623	0.746	6	107.8018	4.124	11	108.2865	4.268	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(H)	108.4210	0.000	1	108.4210	0.000	1	107.8018	4.124	11	108.2865	4.268	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OC)(H)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OC)(H)	O(CC[5a]CH)(CCHH)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OC)(H)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OC)(H)	O(CC[5a]CH)(CCHH)	104.6280	0.000	1	104.6280	0.000	1	107.3405	14.715	2	107.0230	5.760	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:	C(C[5a]N[5a]2)(CC[5a]HO)(OC)(H)	C(C[5a]N[5a]2)(CC[5a]HO)(OC)(H)	O(CC[5a]CH)(CH3)	C(C[5a]N[5a]2)(CC[5a]HO)(OC)(H)	C(C[5a]N[5a]2)(CC[5a]HO)(OC)(H)	O(CC[5a]CH)(CH3)	110.0530	0.000	1	110.0530	0.000	1	107.3405	14.715	2	107.0230	5.760	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:4:	C[5a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:C-4:	C(C[5a]C[5a]N[5a])(CC[6a]HS)(OC)(H)	C(C[6a]C[6a]2)(CC[5a]HO)(SC[6a])(H)	O(CC[5a]CH)(CC[6a]CC)	C(C[5a]C[5a]N[5a])(CC[6a]HS)(OC)(H)	C(C[6a]C[6a]2)(CC[5a]HO)(SC[6a])(H)	O(CC[5a]CH)(CC[6a]CC)	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	107.0230	5.760	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CH3)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(CH3)	106.3510	0.764	2	106.3510	0.583	2	106.3510	0.583	2	107.0230	5.760	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CCHH)	107.6800	3.018	7	107.6800	9.111	7	106.8284	6.852	19	107.0230	5.760	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CC[3]HH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CC[3]HH)	109.0830	0.000	1	109.0830	0.000	1	106.8284	6.852	19	107.0230	5.760	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(CC[6a]CH)(CH3)	105.5214	1.409	10	105.5214	1.984	10	106.8284	6.852	19	107.0230	5.760	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	O(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	O(CC[6a]CH)(CCCH)	111.6830	0.000	1	111.6830	0.000	1	106.8284	6.852	19	107.0230	5.760	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(C[6]C[6]O[6]C)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	O(C[6]C[6]O[6]C)(CC[6a]CH)	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	107.0230	5.760	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	P-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OP)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OP)(H)	O(PC[6a]2Ru)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(OP)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OP)(H)	O(PC[6a]2Ru)(CC[6a]CH)	108.0360	1.973	2	108.0360	3.892	2	108.0360	3.892	2	107.0230	5.760	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:2:2:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-2:O-2:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CC)(OH)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CC)(OH)	O(CC[6a]CH)(H)	106.7830	0.000	1	106.7830	0.000	1	106.7830	0.000	1	106.7830	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:1:	C-3:C-4:O-2:H-1:	N-3:C-4:C-3:H-1:	C-4:H-1:	C(CC[6a]O)(CCHN)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	O(CCCH)(H)	C(CC[6a]O)(CCHN)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	O(CCCH)(H)	109.8810	0.000	1	109.8810	0.000	1	109.8810	0.000	1	108.1181	2.911	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)(H)	O(CC[6a]CH)(H)	109.5387	2.545	3	109.5387	6.478	3	109.2418	3.735	5	108.1181	2.911	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(H)	O(CC[6a]CH)(H)	109.6100	0.000	1	109.6100	0.000	1	109.2418	3.735	5	108.1181	2.911	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	O(CC[6a]CH)(H)	107.9830	0.000	1	107.9830	0.000	1	109.2418	3.735	5	108.1181	2.911	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NCC)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NCC)(H)	O(CC[6a]CH)(H)	108.2080	0.000	1	108.2080	0.000	1	107.6619	1.353	10	108.1181	2.911	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	O(CC[6a]CH)(H)	108.9420	1.283	2	108.9420	1.645	2	107.6619	1.353	10	108.1181	2.911	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[4a]H)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[4a]H)(H)	O(CC[6a]CH)(H)	106.1290	0.769	2	106.1290	0.592	2	107.6619	1.353	10	108.1181	2.911	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NHH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NHH)(H)	O(CC[6a]CH)(H)	107.7320	0.236	2	107.7320	0.056	2	107.6619	1.353	10	108.1181	2.911	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NHS)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NHS)(H)	O(CC[6a]CH)(H)	106.6270	0.000	1	106.6270	0.000	1	107.6619	1.353	10	108.1181	2.911	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	O(CC[6a]CH)(H)	108.0890	0.406	2	108.0890	0.165	2	107.6619	1.353	10	108.1181	2.911	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:S-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]O)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]O)(H)	O(CC[6a]CH)(H)	105.2990	0.000	1	105.2990	0.000	1	105.2990	0.000	1	108.1181	2.911	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:4:	C[5]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCH)(H)	O(CC[5]CH)(CH3)	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCH)(H)	O(CC[5]CH)(CH3)	105.6900	0.000	1	105.6900	0.000	1	105.6900	0.000	1	105.1474	1.134	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:4:	C[6]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CCH)(H)	O(CC[6]CH)(CH3)	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CCH)(H)	O(CC[6]CH)(CH3)	104.4395	0.064	2	104.4395	0.004	2	104.4395	0.004	2	105.1474	1.134	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHN)(H)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHN)(H)	O(CC[6a]CH)(CH3)	106.3750	0.000	2	106.3750	0.000	2	106.1713	0.124	3	105.1474	1.134	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	O(CC[6a]CH)(CH3)	105.7640	0.000	1	105.7640	0.000	1	106.1713	0.124	3	105.1474	1.134	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OFeC)(H)	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OFeC)(H)	O(CC[6a]CH)(CCHH)	103.4060	0.000	1	103.4060	0.000	1	103.4060	0.000	1	105.1474	1.134	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:1:	4:4:	N-3:C-4:O-2:H-1:	C-3:C-4:C-3:H-1:	C-4:C-4:	C(NC[6a]S)(CCCH)(OC)(H)	C(CC[6a]C)(CHNO)(COO)(H)	O(CCHH)(CCHN)	C(NC[6a]S)(CCCH)(OC)(H)	C(CC[6a]C)(CHNO)(COO)(H)	O(CCHH)(CCHN)	104.6900	0.000	1	104.6900	0.000	1	104.6900	0.000	1	105.1474	1.134	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:2:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(OC)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(OC)	O(CC[6a]CH)(H)	109.6850	0.000	1	109.6850	0.000	1	109.6850	0.000	1	109.6850	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:2:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCC)(OH)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCC)(OH)	O(CC[6a]CH)(CH3)	105.1240	0.000	1	105.1240	0.000	1	105.1240	0.000	1	106.1775	2.220	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:2:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	Si-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OSi)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(OH)	O(SiC[6a]CC)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CO)(OSi)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(OH)	O(SiC[6a]CC)(CC[6a]CH)	107.2310	0.000	1	107.2310	0.000	1	107.2310	0.000	1	106.1775	2.220	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:3:3:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:C-3:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]H)(COO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]H)(COO)	O(CC[6a]CH)(H)	106.1620	0.000	1	106.1620	0.000	1	106.1620	0.000	1	106.1620	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:1:	4:1:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C-4:N-4:H-1:	C-4:H-1:	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	O(CC[6]CH)(H)	106.7310	1.669	2	106.7310	2.785	2	106.7310	2.785	2	109.0579	4.073	63	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:B-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]BH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(BN[5]HH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]BH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(BN[5]HH)(H)	O(CC[6a]CH)(H)	112.0470	0.000	1	112.0470	0.000	1	112.0470	0.000	1	109.0579	4.073	63	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	O(CC[6a]CH)(H)	107.6730	0.000	1	107.6730	0.000	1	110.2056	5.769	8	109.0579	4.073	63	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	O(CC[6a]CH)(H)	112.2303	0.184	3	112.2303	0.034	3	110.2056	5.769	8	109.0579	4.073	63	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	O(CC[6a]CH)(H)	108.6990	0.000	1	108.6990	0.000	1	110.2056	5.769	8	109.0579	4.073	63	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	O(CC[6a]CH)(H)	107.2680	0.000	1	107.2680	0.000	1	110.2056	5.769	8	109.0579	4.073	63	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	O(CC[6a]CH)(H)	108.3880	0.000	1	108.3880	0.000	1	110.2056	5.769	8	109.0579	4.073	63	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	O(CC[6a]CH)(H)	112.9260	0.000	1	112.9260	0.000	1	110.2056	5.769	8	109.0579	4.073	63	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	O(CC[6a]CH)(H)	108.8288	1.809	47	108.8288	3.274	47	108.8288	3.274	47	109.0579	4.073	63	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:S-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(SO3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(SO3)(H)	O(CC[6a]CH)(H)	108.6815	2.920	2	108.6815	8.524	2	108.6815	8.524	2	109.0579	4.073	63	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	O(CC[6a]CH)(H)	113.2030	0.000	1	113.2030	0.000	1	113.2030	0.000	1	109.0579	4.073	63	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]CH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	O(CC[6a]CH)(H)	108.9850	0.024	2	108.9850	0.001	2	108.9850	0.001	2	109.0579	4.073	63	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:1:	4:4:	C-3:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:Si-4:	C(CC[6a]O)(CCCH)(OSi)(H)	C(CN[5]O)(CCHO)(CF3)(H)	O(CCCH)(SiC3)	C(CC[6a]O)(CCCH)(OSi)(H)	C(CN[5]O)(CCHO)(CF3)(H)	O(CCCH)(SiC3)	106.2995	0.595	2	106.2995	0.354	2	106.2995	0.354	2	106.8493	1.084	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	O(CC[6a]CH)(CH3)	107.9490	0.000	1	107.9490	0.000	1	107.9490	0.000	1	106.8493	1.084	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:2:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CC3)(OH)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CC3)(OH)	O(CC[6a]CH)(H)	111.4770	0.000	1	111.4770	0.000	1	111.0950	0.292	2	111.0950	0.292	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:2:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	O(CC[6a]CH)(H)	110.7130	0.000	1	110.7130	0.000	1	111.0950	0.292	2	111.0950	0.292	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:2:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	O(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	O(CC[6a]CH)(CCCH)	105.3840	0.000	1	105.3840	0.000	1	105.3856	0.459	5	105.3856	0.459	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:2:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	O(CC[6a]CH)(CCHH)	104.3620	0.000	1	104.3620	0.000	1	105.3856	0.459	5	105.3856	0.459	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:2:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	O(CC[6a]CH)(CH3)	106.1210	0.000	1	106.1210	0.000	1	105.3856	0.459	5	105.3856	0.459	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:2:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	O(CC[6a]CH)(CH3)	105.5305	0.452	2	105.5305	0.204	2	105.3856	0.459	5	105.3856	0.459	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:3:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHS)(CCH)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHS)(CCH)	O(CC[6a]CH)(H)	106.5820	0.000	1	106.5820	0.000	1	106.5820	0.000	1	106.5820	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CF3)(CH3)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CF3)(CH3)	O(CC[6a]CH)(H)	109.2070	0.000	1	109.2070	0.000	1	110.8005	5.078	2	110.8005	5.078	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	3:4:4:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	O(CC[6a]CH)(H)	112.3940	0.000	1	112.3940	0.000	1	110.8005	5.078	2	110.8005	5.078	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]C[5])(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CC[6a]C[5])(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	110.2295	0.288	2	110.2295	0.083	2	109.3552	2.145	5	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CN[5]O)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CN[5]O)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	110.7630	0.000	1	110.7630	0.000	1	109.3552	2.145	5	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CRuC)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CRuC)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	107.7770	0.061	2	107.7770	0.004	2	109.3552	2.145	5	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[4]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[4]C[4]2)(CH3)(OH)(H)	C(CC[4]HO)(H)3	O(CC[4]CH)(H)	C(C[4]C[4]2)(CH3)(OH)(H)	C(CC[4]HO)(H)3	O(CC[4]CH)(H)	107.9420	0.000	1	107.9420	0.000	1	107.9420	0.000	1	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5]2)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	107.9700	0.000	1	107.9700	0.000	1	108.5393	2.222	4	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]P[5])(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5]P[5])(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	106.8310	0.000	1	106.8310	0.000	1	108.5393	2.222	4	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]N[5]2)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]N[5]2)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	109.6780	0.911	2	109.6780	0.829	2	108.5393	2.222	4	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(CF3)(OH)(H)	C(CC[5a]HO)(F)3	O(CC[5a]CH)(H)	C(C[5a]C[5a,6a]C[5a])(CF3)(OH)(H)	C(CC[5a]HO)(F)3	O(CC[5a]CH)(H)	107.8960	0.000	1	107.8960	0.000	1	107.7290	0.056	2	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[5a]N[5a]S[5a])(CF3)(OH)(H)	C(CC[5a]HO)(F)3	O(CC[5a]CH)(H)	C(C[5a]N[5a]S[5a])(CF3)(OH)(H)	C(CC[5a]HO)(F)3	O(CC[5a]CH)(H)	107.5620	0.000	1	107.5620	0.000	1	107.7290	0.056	2	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]N[5a])(CH3)(OH)(H)	C(CC[5a]HO)(H)3	O(CC[5a]CH)(H)	C(C[5a]C[5a]N[5a])(CH3)(OH)(H)	C(CC[5a]HO)(H)3	O(CC[5a]CH)(H)	108.3240	0.000	1	108.3240	0.000	1	111.0462	2.971	11	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]O[5a])(CH3)(OH)(H)	C(CC[5a]HO)(H)3	O(CC[5a]CH)(H)	C(C[5a]C[5a]O[5a])(CH3)(OH)(H)	C(CC[5a]HO)(H)3	O(CC[5a]CH)(H)	109.4800	1.611	2	109.4800	2.595	2	111.0462	2.971	11	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5a]N[5a]2)(CH3)(OH)(H)	C(CC[5a]HO)(H)3	O(CC[5a]CH)(H)	C(C[5a]N[5a]2)(CH3)(OH)(H)	C(CC[5a]HO)(H)3	O(CC[5a]CH)(H)	111.7780	1.225	8	111.7780	1.502	8	111.0462	2.971	11	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[6,6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6])(CH3)(OH)(H)	C(CC[6,6]HO)(H)3	O(CC[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6])(CH3)(OH)(H)	C(CC[6,6]HO)(H)3	O(CC[6,6]CH)(H)	110.2350	0.000	1	110.2350	0.000	1	110.2350	0.000	1	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	C(C[6]C[6]2)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	108.6865	2.867	2	108.6865	8.222	2	108.6865	8.222	2	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CF3)(OH)(H)	C(CC[6a]HO)(F)3	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CF3)(OH)(H)	C(CC[6a]HO)(F)3	O(CC[6a]CH)(H)	107.5530	0.000	1	107.5530	0.000	1	107.5530	0.000	1	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:I-1:	C-4:H-1:	C(C[6a]C[6a]2)(CFFI)(OH)(H)	C(CC[6a]HO)(F)2(I)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CFFI)(OH)(H)	C(CC[6a]HO)(F)2(I)	O(CC[6a]CH)(H)	110.1440	0.000	1	110.1440	0.000	1	110.1440	0.000	1	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(H)	107.8768	0.437	4	107.8768	0.191	4	108.1030	5.294	53	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(H)	108.0650	2.424	47	108.0650	5.874	47	108.1030	5.294	53	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]N[6a]2)(CH3)(OH)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(H)	C(C[6a]N[6a]2)(CH3)(OH)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(H)	109.4500	0.768	2	109.4500	0.590	2	108.1030	5.294	53	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:I-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHI)(OH)(H)	C(CC[6a]HO)(H)2(I)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHI)(OH)(H)	C(CC[6a]HO)(H)2(I)	O(CC[6a]CH)(H)	111.6870	0.563	2	111.6870	0.317	2	111.6870	0.317	2	108.7227	5.323	83	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:	C(C[6]C[6]N[6])(CH3)(ON)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(NCC)	C(C[6]C[6]N[6])(CH3)(ON)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(NCC)	114.9130	0.243	2	114.9130	0.059	2	114.9130	0.059	2	112.1261	11.623	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:	C(C[6a]C[6a]2)(CH3)(ON)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]2)(CH3)(ON)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(NCC)	111.9843	3.364	7	111.9843	11.315	7	111.4294	12.162	8	112.1261	11.623	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(NCC)	107.5450	0.000	1	107.5450	0.000	1	111.4294	12.162	8	112.1261	11.623	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CSnC)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]HH)(CCCH)	C(CSnC)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]HH)(CCCH)	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	C[4]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(C[4]C[4]2)(CH3)(OP)(H)	C(CC[4]HO)(H)3	O(PC[6a]OO)(CC[4]CH)	C(C[4]C[4]2)(CH3)(OP)(H)	C(CC[4]HO)(H)3	O(PC[6a]OO)(CC[4]CH)	105.4950	0.000	1	105.4950	0.000	1	105.4950	0.000	1	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[5a]C[5a,6a]C[5a])(CH3)(OC)(H)	C(CC[5a]HO)(H)3	O(CC[5a]CH)(CHHO)	C(C[5a]C[5a,6a]C[5a])(CH3)(OC)(H)	C(CC[5a]HO)(H)3	O(CC[5a]CH)(CHHO)	108.3370	0.000	1	108.3370	0.000	1	107.8617	0.171	3	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[5a]C[5a]S[5a])(CH3)(OC)(H)	C(CC[5a]HO)(H)3	O(CC[5a]CH)(CHHO)	C(C[5a]C[5a]S[5a])(CH3)(OC)(H)	C(CC[5a]HO)(H)3	O(CC[5a]CH)(CHHO)	107.5910	0.000	1	107.5910	0.000	1	107.8617	0.171	3	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[5a]N[5a]2)(CH3)(OC)(H)	C(CC[5a]HO)(H)3	O(CC[5a]CH)(CC[6a]CH)	C(C[5a]N[5a]2)(CH3)(OC)(H)	C(CC[5a]HO)(H)3	O(CC[5a]CH)(CC[6a]CH)	107.6570	0.000	1	107.6570	0.000	1	107.8617	0.171	3	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6]C[6]N[6])(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CH3)	C(C[6]C[6]N[6])(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CH3)	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:S-4:	C(C[6a]C[6a]2)(CCl3)(OS)(H)	C(CC[6a]HO)(Cl)3	O(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CCl3)(OS)(H)	C(CC[6a]HO)(Cl)3	O(CC[6a]CH)(SC[6a]OO)	104.5370	0.000	1	104.5370	0.000	1	104.5370	0.000	1	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(C[6a]C[6a]2)(CF3)(OC)(H)	C(CC[6a]HO)(F)3	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CF3)(OC)(H)	C(CC[6a]HO)(F)3	O(CC[6a]CH)(CCHH)	105.1040	0.750	2	105.1040	0.562	2	105.2407	0.337	3	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(C[6a]C[6a]2)(CF3)(OC)(H)	C(CC[6a]HO)(F)3	O(CC[6a]CH)(CC[3]HH)	C(C[6a]C[6a]2)(CF3)(OC)(H)	C(CC[6a]HO)(F)3	O(CC[6a]CH)(CC[3]HH)	105.5140	0.000	1	105.5140	0.000	1	105.2407	0.337	3	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]2H)(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]2H)(CC[6a]CH)	105.8320	0.000	1	105.8320	0.000	1	107.5348	3.820	5	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(CC[6a]HH)	107.9683	2.414	3	107.9683	5.827	3	107.5348	3.820	5	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)2	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)2	107.9370	0.000	1	107.9370	0.000	1	107.5348	3.820	5	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(C[6a]C[6a]2)(CH3)(OP)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(PC[6a]SS)	C(C[6a]C[6a]2)(CH3)(OP)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(PC[6a]SS)	107.4740	0.000	1	107.4740	0.000	1	107.4740	0.000	1	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:Si-4:	C(C[6a]N[6a]2)(CH3)(OSi)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(SiC3)	C(C[6a]N[6a]2)(CH3)(OSi)(H)	C(CC[6a]HO)(H)3	O(CC[6a]CH)(SiC3)	111.9230	0.000	1	111.9230	0.000	1	111.9230	0.000	1	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(OSi)(H)	C(CC[6a]HO)(H)3	O(SiC[6a]CC)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(OSi)(H)	C(CC[6a]HO)(H)3	O(SiC[6a]CC)(CC[6a]CH)	107.6310	0.000	1	107.6310	0.000	1	107.6310	0.000	1	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:1:1:1:	4:4:	N[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:Si-4:	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	C(CN[5a]HO)(H)3	O(CN[5a]CH)(SiC3)	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	C(CN[5a]HO)(H)3	O(CN[5a]CH)(SiC3)	112.8310	0.000	1	112.8310	0.000	1	112.8310	0.000	1	107.5917	5.506	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]N[5a])(CHHO)(OH)(H)	C(CC[5a]HO)(OC)(H)2	O(CC[5a]CH)(H)	C(C[5a]C[5a]N[5a])(CHHO)(OH)(H)	C(CC[5a]HO)(OC)(H)2	O(CC[5a]CH)(H)	112.0420	0.000	1	112.0420	0.000	1	112.0420	0.000	1	108.2097	5.081	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-2:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC)(H)2	O(CC[6a]CH)(H)	108.0664	2.168	10	108.0664	4.702	10	108.0664	4.702	10	108.2097	5.081	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(OH)(H)	C(CC[6a]HO)(OH)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHO)(OH)(H)	C(CC[6a]HO)(OH)(H)2	O(CC[6a]CH)(H)	107.6740	0.000	1	107.6740	0.000	1	107.6740	0.000	1	108.2097	5.081	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHS)(OH)(H)	C(CC[6a]HO)(SC[6a])(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHS)(OH)(H)	C(CC[6a]HO)(SC[6a])(H)2	O(CC[6a]CH)(H)	106.3460	0.000	1	106.3460	0.000	1	106.3460	0.000	1	108.2097	5.081	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:N-2:H-1:H-1:	C-4:N-3:	C(C[6a]C[6a]2)(CHHN)(ON)(H)	C(CC[6a]HO)(NH)(H)2	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]2)(CHHN)(ON)(H)	C(CC[6a]HO)(NH)(H)2	O(CC[6a]CH)(NCC)	106.9960	0.000	1	106.9960	0.000	1	106.9960	0.000	1	108.6200	10.433	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:N-3:	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C(CC[6a]HO)(OC)(H)2	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C(CC[6a]HO)(OC)(H)2	O(CC[6a]CH)(NCC)	110.4997	3.771	3	110.4997	14.222	3	108.8907	11.905	6	108.6200	10.433	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:N-3:	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C(CC[6a]HO)(OC)(H)2	O(CC[6a]CH)(NC[3x6]2)	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C(CC[6a]HO)(OC)(H)2	O(CC[6a]CH)(NC[3x6]2)	104.8330	0.000	1	104.8330	0.000	1	108.8907	11.905	6	108.6200	10.433	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:N-3:	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C(CC[6a]HO)(OH)(H)2	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C(CC[6a]HO)(OH)(H)2	O(CC[6a]CH)(NCC)	106.6960	0.000	1	106.6960	0.000	1	108.8907	11.905	6	108.6200	10.433	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:N-3:	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	C(CC[6a]HO)(OH)(H)2	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	C(CC[6a]HO)(OH)(H)2	O(CC[6a]CH)(NCC)	110.3160	0.000	1	110.3160	0.000	1	108.8907	11.905	6	108.6200	10.433	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:4:	C-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C(CC[5]H)(CHHO)(OSi)(H)	C(CCHO)(OC)(H)2	O(SiC[6a]2C)(CCCH)	C(CC[5]H)(CHHO)(OSi)(H)	C(CCHO)(OC)(H)2	O(SiC[6a]2C)(CCCH)	111.0800	0.000	1	111.0800	0.000	1	111.0800	0.000	1	108.7500	6.197	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-2:H-1:H-1:	C-4:P-4:	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C(CC[6a]HO)(CN)(H)2	O(CC[6a]CH)(PO3)	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C(CC[6a]HO)(CN)(H)2	O(CC[6a]CH)(PO3)	106.1270	0.000	1	106.1270	0.000	1	106.1270	0.000	1	108.7500	6.197	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:1:1:	4:4:	N[5]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(N[5]C[5]N[5])(CHHO)(OC)(H)	C(CN[5]HO)(OC)(H)2	O(CN[5]CH)(CH3)	C(N[5]C[5]N[5])(CHHO)(OC)(H)	C(CN[5]HO)(OC)(H)2	O(CN[5]CH)(CH3)	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	108.7500	6.197	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:S-2:S-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHSS)(OH)(H)	C(CC[6a]HO)(SC[6a])(SC[6])(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHSS)(OH)(H)	C(CC[6a]HO)(SC[6a])(SC[6])(H)	O(CC[6a]CH)(H)	110.7635	0.091	2	110.7635	0.008	2	110.7635	0.008	2	110.7635	0.008	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(OC[6a])(COO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(OC[6a])(COO)(H)	O(CC[6a]CH)(H)	105.6730	0.156	2	105.6730	0.024	2	105.6730	0.024	2	105.6730	0.024	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(OC[6a])(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(OC[6a])(CH3)(H)	O(CC[6a]CH)(H)	109.6015	0.672	2	109.6015	0.452	2	109.4980	0.982	10	109.3821	1.031	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(OC[6a])(CHHO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(OC[6a])(CHHO)(H)	O(CC[6a]CH)(H)	109.4721	1.093	8	109.4721	1.194	8	109.4980	0.982	10	109.3821	1.031	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:Se-2:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CSeCH)(OH)(H)	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CSeCH)(OH)(H)	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	O(CC[6a]CH)(H)	108.2230	0.000	1	108.2230	0.000	1	108.2230	0.000	1	109.3821	1.031	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:2:4:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:C-4:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(ON[6])(CH3)(H)	O(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(ON[6])(CH3)(H)	O(CC[6a]CH)(CCCH)	103.5000	0.000	1	103.5000	0.000	1	103.5000	0.000	1	103.5000	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CC[6]H)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	C(CC[6]H)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	110.1320	0.000	1	110.1320	0.000	1	111.4287	1.405	3	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CC[6a]O)(CCHH)(OH)(H)	C(CCHO)(CCC)(H)2	O(CCCH)(H)	C(CC[6a]O)(CCHH)(OH)(H)	C(CCHO)(CCC)(H)2	O(CCCH)(H)	112.0770	0.537	2	112.0770	0.289	2	111.4287	1.405	3	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[5]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[5]N[5]2)(CCHH)(OH)(H)	C(CC[5]HO)(COO)(H)2	O(CC[5]CH)(H)	C(C[5]N[5]2)(CCHH)(OH)(H)	C(CC[5]HO)(COO)(H)2	O(CC[5]CH)(H)	107.4580	0.000	1	107.4580	0.000	1	107.4580	0.000	1	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CNO)(H)2	O(CC[5a]CH)(H)	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CNO)(H)2	O(CC[5a]CH)(H)	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]N[5a])(CHHN)(OH)(H)	C(CC[5a]HO)(NCH)(H)2	O(CC[5a]CH)(H)	C(C[5a]C[5a]N[5a])(CHHN)(OH)(H)	C(CC[5a]HO)(NCH)(H)2	O(CC[5a]CH)(H)	111.8775	0.281	2	111.8775	0.079	2	110.2575	4.707	4	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]O[5a])(CHHN)(OH)(H)	C(CC[5a]HO)(NOO)(H)2	O(CC[5a]CH)(H)	C(C[5a]C[5a]O[5a])(CHHN)(OH)(H)	C(CC[5a]HO)(NOO)(H)2	O(CC[5a]CH)(H)	108.6375	1.883	2	108.6375	3.546	2	110.2575	4.707	4	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Br-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(Br)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(Br)(H)	O(CC[6a]CH)(H)	106.2687	1.189	4	106.2687	1.414	4	106.2687	1.414	4	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Cl-1:Cl-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C(CC[6a]HO)(CC[5a]O)(Cl)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C(CC[6a]HO)(CC[5a]O)(Cl)2	O(CC[6a]CH)(H)	109.2756	1.146	5	109.2756	1.313	5	109.4066	0.791	8	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Cl-1:Cl-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(Cl)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(Cl)2	O(CC[6a]CH)(H)	109.6250	0.170	3	109.6250	0.029	3	109.4066	0.791	8	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCFF)(OH)(H)	C(CC[6a]HO)(CCO)(F)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCFF)(OH)(H)	C(CC[6a]HO)(CCO)(F)2	O(CC[6a]CH)(H)	104.2870	0.000	1	104.2870	0.000	1	104.2870	0.000	1	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[5,6a]C[6a])(CCHH)(OH)(H)	C(CC[6a]HO)(CCH)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[5,6a]C[6a])(CCHH)(OH)(H)	C(CC[6a]HO)(CCH)(H)2	O(CC[6a]CH)(H)	105.3840	0.000	1	105.3840	0.000	1	108.9385	7.176	35	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CCHH)(OH)(H)	C(CC[6a]HO)(COO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHH)(OH)(H)	C(CC[6a]HO)(COO)(H)2	O(CC[6a]CH)(H)	109.3900	0.000	1	109.3900	0.000	1	108.9385	7.176	35	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCC)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCC)(H)2	O(CC[6a]CH)(H)	110.8405	0.438	2	110.8405	0.192	2	108.9385	7.176	35	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCH)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCH)(H)2	O(CC[6a]CH)(H)	110.7202	2.330	5	110.7202	5.429	5	108.9385	7.176	35	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCO)(H)2	O(CC[6a]CH)(H)	107.8174	2.643	10	107.8174	6.984	10	108.9385	7.176	35	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[5]O)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[5]O)(H)2	O(CC[6a]CH)(H)	105.6690	0.000	1	105.6690	0.000	1	108.9385	7.176	35	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[5a]O)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[5a]O)(H)2	O(CC[6a]CH)(H)	107.3230	0.000	1	107.3230	0.000	1	108.9385	7.176	35	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[6a]N)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[6a]N)(H)2	O(CC[6a]CH)(H)	111.3460	0.000	1	111.3460	0.000	1	108.9385	7.176	35	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(H)2	O(CC[6a]CH)(H)	108.9414	3.301	7	108.9414	10.898	7	108.9385	7.176	35	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CNO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CNO)(H)2	O(CC[6a]CH)(H)	109.1840	3.335	3	109.1840	11.121	3	108.9385	7.176	35	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(COO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(COO)(H)2	O(CC[6a]CH)(H)	110.0453	0.252	3	110.0453	0.063	3	108.9385	7.176	35	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:I-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHI)(OH)(H)	C(CC[6a]HO)(COO)(H)(I)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHI)(OH)(H)	C(CC[6a]HO)(COO)(H)(I)	O(CC[6a]CH)(H)	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	C(CC[6a]HO)(NCC)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	C(CC[6a]HO)(NCC)(H)2	O(CC[6a]CH)(H)	108.8950	0.000	1	108.8950	0.000	1	108.3395	4.547	15	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCC)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCC)(H)2	O(CC[6a]CH)(H)	110.2957	2.293	3	110.2957	5.256	3	108.3395	4.547	15	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCH)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCH)(H)2	O(CC[6a]CH)(H)	107.3063	1.190	8	107.3063	1.417	8	108.3395	4.547	15	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCS)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCS)(H)2	O(CC[6a]CH)(H)	105.4460	0.000	1	105.4460	0.000	1	108.3395	4.547	15	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NC[6a]H)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NC[6a]H)(H)2	O(CC[6a]CH)(H)	110.7070	1.820	2	110.7070	3.313	2	108.3395	4.547	15	108.7785	5.838	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:2:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:	C(C[6a]C[6a]2)(CCHH)(OO)(H)	C(CC[6a]HO)(CC[6a]N)(H)2	O(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(CCHH)(OO)(H)	C(CC[6a]HO)(CC[6a]N)(H)2	O(CC[6a]CH)(OC)	104.2970	0.000	1	104.2970	0.000	1	104.2970	0.000	1	104.2970	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:	C(C[6a]C[6a]2)(CHHN)(ON)(H)	C(CC[6a]HO)(NHH)(H)2	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]2)(CHHN)(ON)(H)	C(CC[6a]HO)(NHH)(H)2	O(CC[6a]CH)(NCC)	114.4760	0.000	1	114.4760	0.000	1	114.4760	0.000	1	114.4760	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:4:	C-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CC[6a]O)(CCHH)(OC)(H)	C(CCHO)(COO)(H)2	O(CCCH)(CCHH)	C(CC[6a]O)(CCHH)(OC)(H)	C(CCHO)(COO)(H)2	O(CCCH)(CCHH)	111.2500	0.000	2	111.2500	0.000	2	111.2500	0.000	2	106.6024	11.166	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(C[5a]C[5a]2)(CCHH)(OC)(H)	C(CC[5a]HO)(CCH)(H)2	O(CC[5a]CH)(CCCH)	C(C[5a]C[5a]2)(CCHH)(OC)(H)	C(CC[5a]HO)(CCH)(H)2	O(CC[5a]CH)(CCCH)	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	106.6024	11.166	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:4:	C[6]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:Si-4:	C(C[6]C[6]2)(CCHH)(OSi)(H)	C(CC[6]HO)(CC[6a]O)(H)2	O(CC[6]CH)(SiC3)	C(C[6]C[6]2)(CCHH)(OSi)(H)	C(CC[6]HO)(CC[6a]O)(H)2	O(CC[6]CH)(SiC3)	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	106.6024	11.166	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Br-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CC[6a]HO)(CC[5a]O)(Br)(H)	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CC[6a]HO)(CC[5a]O)(Br)(H)	O(CC[6a]CH)(CCHH)	102.9330	0.000	1	102.9330	0.000	1	102.1497	0.322	4	106.6024	11.166	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Br-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CC[6a]HO)(CC[6a]O)(Br)(H)	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CC[6a]HO)(CC[6a]O)(Br)(H)	O(CC[6a]CH)(CCHH)	102.1180	0.000	1	102.1180	0.000	1	102.1497	0.322	4	106.6024	11.166	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Br-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CC[6a]HO)(CC[6a]O)(Br)(H)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CC[6a]HO)(CC[6a]O)(Br)(H)	O(CC[6a]CH)(CH3)	101.7740	0.262	2	101.7740	0.068	2	102.1497	0.322	4	106.6024	11.166	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCH)(H)2	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCH)(H)2	O(CC[6a]CH)(CCHH)	104.7445	0.855	2	104.7445	0.731	2	104.7807	0.259	4	106.6024	11.166	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCO)(H)2	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCO)(H)2	O(CC[6a]CH)(CH3)	104.6730	0.000	1	104.6730	0.000	1	104.7807	0.259	4	106.6024	11.166	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CNO)(H)2	O(CC[6a]CH)(CHHO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CNO)(H)2	O(CC[6a]CH)(CHHO)	104.9610	0.000	1	104.9610	0.000	1	104.7807	0.259	4	106.6024	11.166	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NC[6a]S)(H)2	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NC[6a]S)(H)2	O(CC[6a]CH)(CC[6a]HH)	112.1170	0.000	1	112.1170	0.000	1	108.6200	10.010	3	106.6024	11.166	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NHS)(H)2	O(CC[6a]2C)(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NHS)(H)2	O(CC[6a]2C)(CC[6a]CH)	105.9560	0.000	1	105.9560	0.000	1	108.6200	10.010	3	106.6024	11.166	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NHS)(H)2	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NHS)(H)2	O(CC[6a]CH)(CCHH)	107.7870	0.000	1	107.7870	0.000	1	108.6200	10.010	3	106.6024	11.166	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:Ge-4:	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	C(CC[6a]HO)(NCC)(H)2	O(CC[6a]CH)(GeO3)	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	C(CC[6a]HO)(NCC)(H)2	O(CC[6a]CH)(GeO3)	107.9030	0.000	1	107.9030	0.000	1	107.9030	0.000	1	106.6024	11.166	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CHHS)(OC)(H)	C(CC[6a]HO)(SC[6a]O)(H)2	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CHHS)(OC)(H)	C(CC[6a]HO)(SC[6a]O)(H)2	O(CC[6a]CH)(CH3)	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	106.6024	11.166	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:1:1:	4:4:	N[5a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	C(CN[5a]HO)(CNO)(H)2	O(CN[5a]CC)(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	C(CN[5a]HO)(CNO)(H)2	O(CN[5a]CC)(CN[5a]CH)	106.5720	0.035	2	106.5720	0.001	2	106.5720	0.001	2	106.6024	11.166	19	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:2:1:	4:1:	C[5]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(C[5]N[5]2)(CCHO)(OH)(H)	C(CC[5]HO)(COO)(OH)(H)	O(CC[5]CH)(H)	C(C[5]N[5]2)(CCHO)(OH)(H)	C(CC[5]HO)(COO)(OH)(H)	O(CC[5]CH)(H)	110.5665	2.244	2	110.5665	5.034	2	110.5665	5.034	2	109.5173	3.904	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:2:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(C[5a]C[5a]O[5a])(CCHO)(OH)(H)	C(CC[5a]HO)(CC[6a]O)(OC)(H)	O(CC[5a]CH)(H)	C(C[5a]C[5a]O[5a])(CCHO)(OH)(H)	C(CC[5a]HO)(CC[6a]O)(OC)(H)	O(CC[5a]CH)(H)	111.2610	0.000	1	111.2610	0.000	1	111.2610	0.000	1	109.5173	3.904	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCO)(OC)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCO)(OC)(H)	O(CC[6a]CH)(H)	110.1455	1.913	2	110.1455	3.659	2	109.1331	3.900	10	109.5173	3.904	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCO)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCO)(OH)(H)	O(CC[6a]CH)(H)	109.6275	0.074	2	109.6275	0.006	2	109.1331	3.900	10	109.5173	3.904	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CC[6]O)(OC)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CC[6]O)(OC)(H)	O(CC[6a]CH)(H)	107.4210	0.000	1	107.4210	0.000	1	109.1331	3.900	10	109.5173	3.904	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	O(CC[6a]CH)(H)	110.8100	0.919	2	110.8100	0.845	2	109.1331	3.900	10	109.5173	3.904	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CN[5]O)(OC)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CN[5]O)(OC)(H)	O(CC[6a]CH)(H)	108.7230	0.000	1	108.7230	0.000	1	109.1331	3.900	10	109.5173	3.904	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(COO)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(COO)(OH)(H)	O(CC[6a]CH)(H)	104.7390	0.000	1	104.7390	0.000	1	109.1331	3.900	10	109.5173	3.904	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(COS)(OC)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(COS)(OC)(H)	O(CC[6a]CH)(H)	109.2820	0.000	1	109.2820	0.000	1	109.1331	3.900	10	109.5173	3.904	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:3:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(C[5a]C[5a]S[5a])(CCHN)(OH)(H)	C(CC[5a]HO)(COO)(NCH)(H)	O(CC[5a]CH)(H)	C(C[5a]C[5a]S[5a])(CCHN)(OH)(H)	C(CC[5a]HO)(COO)(NCH)(H)	O(CC[5a]CH)(H)	108.1650	0.000	1	108.1650	0.000	1	108.1650	0.000	1	108.4095	7.988	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCH)(COO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCH)(COO)(H)	O(CC[6a]CH)(H)	111.5855	0.986	2	111.5855	0.973	2	111.5855	0.973	2	108.4095	7.988	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CCH)(NCH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CCH)(NCH)(H)	O(CC[6a]CH)(H)	109.3590	0.000	1	109.3590	0.000	1	107.6460	7.716	8	108.4095	7.988	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CCH)(NCS)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CCH)(NCS)(H)	O(CC[6a]CH)(H)	104.7700	0.000	1	104.7700	0.000	1	107.6460	7.716	8	108.4095	7.988	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(COO)(NCC)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(COO)(NCC)(H)	O(CC[6a]CH)(H)	107.7100	0.000	1	107.7100	0.000	1	107.6460	7.716	8	108.4095	7.988	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(COO)(NCH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(COO)(NCH)(H)	O(CC[6a]CH)(H)	107.3055	3.478	4	107.3055	12.095	4	107.6460	7.716	8	108.4095	7.988	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(COO)(NHH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(COO)(NHH)(H)	O(CC[6a]CH)(H)	110.1070	0.000	1	110.1070	0.000	1	107.6460	7.716	8	108.4095	7.988	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-3:H-1:	C-4:Si-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CCO)(COO)(H)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CCO)(COO)(H)	O(CC[6a]CH)(SiC3)	107.1430	0.000	1	107.1430	0.000	1	107.1430	0.000	1	106.5270	0.397	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:Si-4:	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C(CC[6a]HO)(CC[6a]O)(NHS)(H)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C(CC[6a]HO)(CC[6a]O)(NHS)(H)	O(CC[6a]CH)(SiC3)	106.2190	0.475	2	106.2190	0.226	2	106.2190	0.226	2	106.5270	0.397	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:3:2:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-3:O-2:	C-4:P-4:	C(C[6a]C[6a]2)(CCCO)(OP)(H)	C(CC[6a]HO)(CCH)(COO)(OH)	O(CC[6a]CH)(PO3)	C(C[6a]C[6a]2)(CCCO)(OP)(H)	C(CC[6a]HO)(CCH)(COO)(OH)	O(CC[6a]CH)(PO3)	105.2090	0.000	1	105.2090	0.000	1	105.2090	0.000	1	105.2090	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	O(CC[6a]CH)(H)	108.5220	0.000	1	108.5220	0.000	1	107.0197	6.112	12	107.7495	8.625	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	O(CC[6a]CH)(H)	104.2860	0.000	1	104.2860	0.000	1	107.0197	6.112	12	107.7495	8.625	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	O(CC[6a]CH)(H)	107.3250	0.000	1	107.3250	0.000	1	107.0197	6.112	12	107.7495	8.625	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CF3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CF3)(H)	O(CC[6a]CH)(H)	107.4655	4.160	2	107.4655	17.305	2	107.0197	6.112	12	107.7495	8.625	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	O(CC[6a]CH)(H)	105.3060	0.324	3	105.3060	0.105	3	107.0197	6.112	12	107.7495	8.625	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	O(CC[6a]CH)(H)	105.1060	0.000	1	105.1060	0.000	1	107.0197	6.112	12	107.7495	8.625	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	O(CC[6a]CH)(H)	109.5670	0.000	1	109.5670	0.000	1	107.0197	6.112	12	107.7495	8.625	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[6]O)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[6]O)(CH3)(H)	O(CC[6a]CH)(H)	111.5510	0.000	1	111.5510	0.000	1	107.0197	6.112	12	107.7495	8.625	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CSiC)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CSiC)(CH3)(H)	O(CC[6a]CH)(H)	107.0300	0.000	1	107.0300	0.000	1	107.0197	6.112	12	107.7495	8.625	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NC[6]H)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NC[6]H)(CH3)(H)	O(CC[6a]CH)(H)	112.1285	0.388	2	112.1285	0.151	2	112.1285	0.151	2	107.7495	8.625	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:4:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	O(CC[6a]CH)(CH3)	105.7230	0.000	1	105.7230	0.000	1	105.7230	0.000	1	105.9020	0.064	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:4:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6]2O)(OC)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6]2O)(OC)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	O(CC[6a]CH)(CH3)	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	105.9020	0.064	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:4:3:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:C-4:C-3:	C-4:H-1:	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	O(CC[6a]CH)(H)	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:3:4:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:S-3:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCCS)(OH)(H)	C(CC[6a]HO)(SC[6a]O)(CH3)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCS)(OH)(H)	C(CC[6a]HO)(SC[6a]O)(CH3)2	O(CC[6a]CH)(H)	106.1450	0.000	1	106.1450	0.000	1	106.1450	0.000	1	106.1450	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]O)(CCHH)(OH)(H)	C(CCHO)(CHHN)(H)2	O(CCCH)(H)	C(CC[6a]O)(CCHH)(OH)(H)	C(CCHO)(CHHN)(H)2	O(CCCH)(H)	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2)(CCHH)(OH)(H)	C(CC[5]CH)(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2)(CCHH)(OH)(H)	C(CC[5]CH)(CC[5]HO)(H)2	O(CC[5]CH)(H)	110.9040	0.000	1	110.9040	0.000	1	109.4770	4.073	2	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]N[5]S[5])(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	O(CC[5]CH)(H)	C(C[5]N[5]S[5])(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	O(CC[5]CH)(H)	108.0500	0.000	1	108.0500	0.000	1	109.4770	4.073	2	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[5]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C(C[6]C[5,6]C[6]C)(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C(C[6]C[5,6]C[6]C)(CC[5]HO)(H)2	O(CC[5]CH)(H)	110.7935	3.395	2	110.7935	11.525	2	110.8597	5.776	3	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[5]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C(C[6]C[6]2C)(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C(C[6]C[6]2C)(CC[5]HO)(H)2	O(CC[5]CH)(H)	110.9920	0.000	1	110.9920	0.000	1	110.8597	5.776	3	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CCHO)(H)2	O(CC[5a]CH)(H)	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CCHO)(H)2	O(CC[5a]CH)(H)	108.6515	0.152	2	108.6515	0.023	2	110.7782	4.491	5	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CC[6a]CH)(H)2	O(CC[5a]CH)(H)	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CC[6a]CH)(H)2	O(CC[5a]CH)(H)	111.2550	0.000	1	111.2550	0.000	1	110.7782	4.491	5	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CHHN)(H)2	O(CC[5a]CH)(H)	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CHHN)(H)2	O(CC[5a]CH)(H)	112.6665	1.240	2	112.6665	1.537	2	110.7782	4.491	5	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]2)(CC[6,6]HH)(OH)(H)	C(C[6,6]C[3x6]C[6]2)(CC[5a]HO)(H)2	O(CC[5a]CH)(H)	C(C[5a]C[5a]2)(CC[6,6]HH)(OH)(H)	C(C[6,6]C[3x6]C[6]2)(CC[5a]HO)(H)2	O(CC[5a]CH)(H)	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(CC[5a]HO)(H)2	O(CC[5a]CH)(H)	C(C[5a]C[5a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(CC[5a]HO)(H)2	O(CC[5a]CH)(H)	110.7725	1.858	2	110.7725	3.451	2	110.7725	3.451	2	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]O[5a])(CN[6]HH)(OH)(H)	C(N[6]C[6]2H)(CC[5a]HO)(H)2	O(CC[5a]CH)(H)	C(C[5a]C[5a]O[5a])(CN[6]HH)(OH)(H)	C(N[6]C[6]2H)(CC[5a]HO)(H)2	O(CC[5a]CH)(H)	108.0340	0.000	1	108.0340	0.000	1	108.0340	0.000	1	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2)(CHHN)(OH)(H)	C(CC[6]HO)(NCHH)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]2)(CHHN)(OH)(H)	C(CC[6]HO)(NCHH)(H)2	O(CC[6]CH)(H)	104.8030	0.000	1	104.8030	0.000	1	104.8030	0.000	1	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	B[5,5]-4:C-4:Br-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CB[5,5]BrH)(OH)(H)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(Br)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CB[5,5]BrH)(OH)(H)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(Br)(H)	O(CC[6a]CH)(H)	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	B[5,5]-4:C-4:H-1:I-1:	C-4:H-1:	C(C[6a]C[6a]2)(CB[5,5]HI)(OH)(H)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(H)(I)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CB[5,5]HI)(OH)(H)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(H)(I)	O(CC[6a]CH)(H)	104.6010	0.000	1	104.6010	0.000	1	104.6010	0.000	1	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C(CC[6a]HO)(CHHO)(Br)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C(CC[6a]HO)(CHHO)(Br)(H)	O(CC[6a]CH)(H)	107.2407	0.124	3	107.2407	0.015	3	107.2407	0.015	3	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:Cl-1:Cl-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C(CC[6a]HO)2(Cl)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C(CC[6a]HO)2(Cl)2	O(CC[6a]CH)(H)	105.4470	0.000	1	105.4470	0.000	1	105.4470	0.000	1	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCFF)(OH)(H)	C(CC[6a]CO)(CC[6a]HO)(F)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCFF)(OH)(H)	C(CC[6a]CO)(CC[6a]HO)(F)2	O(CC[6a]CH)(H)	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	105.3560	1.109	2	105.3560	1.229	2	109.1944	4.869	26	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]C[6]H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]C[6]H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	108.8950	0.000	1	108.8950	0.000	1	109.1944	4.869	26	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HN)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HN)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	109.2970	2.117	2	109.2970	4.482	2	109.1944	4.869	26	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCCH)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCCH)(H)2	O(CC[6a]CH)(H)	111.0940	0.000	1	111.0940	0.000	1	109.1944	4.869	26	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCHH)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCHH)(H)2	O(CC[6a]CH)(H)	109.9269	2.790	10	109.9269	7.783	10	109.1944	4.869	26	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[4]HH)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[4]HH)(H)2	O(CC[6a]CH)(H)	109.5022	0.992	5	109.5022	0.983	5	109.1944	4.869	26	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CH3)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CH3)(H)2	O(CC[6a]CH)(H)	108.8143	0.290	4	108.8143	0.084	4	109.1944	4.869	26	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CN[5a]HH)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CN[5a]HH)(H)2	O(CC[6a]CH)(H)	107.7220	0.000	1	107.7220	0.000	1	109.1944	4.869	26	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCHH)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCHH)(H)2	O(CC[6a]CH)(H)	108.8660	2.505	26	108.8660	6.276	26	108.7298	5.480	33	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NH3)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NH3)(H)2	O(CC[6a]CH)(H)	108.2240	1.642	7	108.2240	2.697	7	108.7298	5.480	33	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:P-4:Cl-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CClHP)(OH)(H)	C(CC[6a]HO)(PO3)(Cl)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CClHP)(OH)(H)	C(CC[6a]HO)(PO3)(Cl)(H)	O(CC[6a]CH)(H)	103.6920	0.241	3	103.6920	0.058	3	103.6920	0.058	3	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:P-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHP)(OH)(H)	C(CC[6a]HO)(PC[6a]2B)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHHP)(OH)(H)	C(CC[6a]HO)(PC[6a]2B)(H)2	O(CC[6a]CH)(H)	110.7240	0.000	1	110.7240	0.000	1	110.7240	0.000	1	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:S-4:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CFFS)(OH)(H)	C(CC[6a]HO)(SC[6a]NO)(F)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CFFS)(OH)(H)	C(CC[6a]HO)(SC[6a]NO)(F)2	O(CC[6a]CH)(H)	106.3910	0.000	1	106.3910	0.000	1	106.3910	0.000	1	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[3]HH)(OH)(H)	C(C[3]C[3]2H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[3]HH)(OH)(H)	C(C[3]C[3]2H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	107.4465	0.404	2	107.4465	0.163	2	107.4465	0.163	2	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[3x6]HH)(OH)(H)	C(C[3x6]C[6,6]3)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[3x6]HH)(OH)(H)	C(C[3x6]C[6,6]3)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5,5]HH)(OH)(H)	C(C[5,5]C[4,5,5]C[5,5]H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5,5]HH)(OH)(H)	C(C[5,5]C[4,5,5]C[5,5]H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	106.7840	0.000	1	106.7840	0.000	1	106.7840	0.000	1	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	109.1690	0.000	1	109.1690	0.000	1	107.5373	1.997	3	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	106.7050	0.000	1	106.7050	0.000	1	107.5373	1.997	3	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5]N[5]H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5]N[5]H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	106.7380	0.000	1	106.7380	0.000	1	107.5373	1.997	3	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	110.7640	1.278	2	110.7640	1.634	2	110.9140	0.791	4	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6,6a]P[6]H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6,6a]P[6]H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	110.4950	0.000	1	110.4950	0.000	1	110.9140	0.791	4	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HO)(H)2	O(CC[6a]CH)(H)	111.6330	0.000	1	111.6330	0.000	1	110.9140	0.791	4	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:1:	N[5a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	C(CN[5a]HO)(CCHH)(H)2	O(CN[5a]CH)(H)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	C(CN[5a]HO)(CCHH)(H)2	O(CN[5a]CH)(H)	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	108.8015	5.757	99	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:2:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:	C(C[6a]C[6a]2)(CCHH)(OO)(H)	C(CC[6a]HO)(CClCC)(H)2	O(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(CCHH)(OO)(H)	C(CC[6a]HO)(CClCC)(H)2	O(CC[6a]CH)(OC)	105.4940	0.000	1	105.4940	0.000	1	105.4940	0.000	1	106.9460	4.217	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:2:	C[6a]-3:C-4:O-2:H-1:	C-4:S-4:H-1:H-1:	C-4:O-2:	C(C[6a]C[6a]2)(CHHS)(OO)(H)	C(CC[6a]HO)(SC[6a]OO)(H)2	O(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(CHHS)(OO)(H)	C(CC[6a]HO)(SC[6a]OO)(H)2	O(CC[6a]CH)(OH)	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	106.9460	4.217	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C(CC[6a]HO)(CCHH)(H)2	O(CC[6a]CH)(NCH)	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C(CC[6a]HO)(CCHH)(H)2	O(CC[6a]CH)(NCH)	104.7990	0.000	1	104.7990	0.000	1	107.3795	13.318	2	107.3795	13.318	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C(CC[6a]HO)(CCHH)(H)2	O(CC[6a]CH)(NC[6a]C)	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C(CC[6a]HO)(CCHH)(H)2	O(CC[6a]CH)(NC[6a]C)	109.9600	0.000	1	109.9600	0.000	1	107.3795	13.318	2	107.3795	13.318	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:4:	C[5a]-3:C-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(C[5a]C[5a]O[5a])(CN[6]HH)(OC)(H)	C(N[6]C[6]2H)(CC[5a]HO)(H)2	O(CC[5a]CH)(CCHH)	C(C[5a]C[5a]O[5a])(CN[6]HH)(OC)(H)	C(N[6]C[6]2H)(CC[5a]HO)(H)2	O(CC[5a]CH)(CCHH)	108.1770	0.000	1	108.1770	0.000	1	108.1770	0.000	1	107.3049	3.759	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:4:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(C[6]C[6]2)(CCHH)(OSi)(H)	C(CC[6]HO)(CCHH)(H)2	O(CC[6]CH)(SiC3)	C(C[6]C[6]2)(CCHH)(OSi)(H)	C(CC[6]HO)(CCHH)(H)2	O(CC[6]CH)(SiC3)	109.5660	0.000	1	109.5660	0.000	1	109.5660	0.000	1	107.3049	3.759	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	O(CC[6a]HH)(CC[6]CH)	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	O(CC[6a]HH)(CC[6]CH)	103.4180	0.000	1	103.4180	0.000	1	103.4180	0.000	1	107.3049	3.759	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	C-4:Si-4:	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	C(CC[6a]HO)(CCHO)(F)(H)	O(CC[6a]CH)(SiSi3)	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	C(CC[6a]HO)(CCHO)(F)(H)	O(CC[6a]CH)(SiSi3)	105.8690	0.000	1	105.8690	0.000	1	105.8690	0.000	1	107.3049	3.759	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCHH)(H)2	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCHH)(H)2	O(CC[6a]CH)(CH3)	104.3660	0.414	2	104.3660	0.172	2	104.3660	0.172	2	107.3049	3.759	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C(CC[6a]HO)(CCHH)(H)2	O(CC[6a]CH)(PO3)	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C(CC[6a]HO)(CCHH)(H)2	O(CC[6a]CH)(PO3)	107.9077	0.418	4	107.9077	0.175	4	107.9077	0.175	4	107.3049	3.759	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	C(CC[6a]HO)(CCHH)(H)2	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	C(CC[6a]HO)(CCHH)(H)2	O(CC[6a]CH)(SiC3)	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	107.3049	3.759	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NCHH)(H)2	O(CC[6a]CH)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NCHH)(H)2	O(CC[6a]CH)2	105.9000	0.000	1	105.9000	0.000	1	105.9000	0.000	1	107.3049	3.759	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:I-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6]HI)(OC)(H)	C(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6]HI)(OC)(H)	C(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	O(CC[6a]CH)(CH3)	108.7780	0.000	1	108.7780	0.000	1	108.7780	0.000	1	107.3049	3.759	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:4:	N[5]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(N[5]C[5]2)(CCHH)(OSi)(H)	C(CN[5]HO)(CH3)(H)2	O(CN[5]CH)(SiC3)	C(N[5]C[5]2)(CCHH)(OSi)(H)	C(CN[5]HO)(CH3)(H)2	O(CN[5]CH)(SiC3)	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	107.3049	3.759	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:4:	N[6]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(N[6]C[6]N[6])(CCHH)(OC)(H)	C(CN[6]HO)(CCHH)(H)2	O(CN[6]CH)(CH3)	C(N[6]C[6]N[6])(CCHH)(OC)(H)	C(CN[6]HO)(CCHH)(H)2	O(CN[6]CH)(CH3)	107.7230	0.000	1	107.7230	0.000	1	107.7230	0.000	1	107.3049	3.759	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:1:1:	4:4:	N[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:I-1:	C-4:C-4:	C(N[6a]C[6a]2)(CCHI)(OC)(H)	C(CN[6a]HO)(CHHN)(H)(I)	O(CN[6a]CH)(CCHH)	C(N[6a]C[6a]2)(CCHI)(OC)(H)	C(CN[6a]HO)(CHHN)(H)(I)	O(CN[6a]CH)(CCHH)	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	107.3049	3.759	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:1:	C-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]O)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[6a]O)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	O(CCCH)(H)	111.1850	0.000	1	111.1850	0.000	1	111.1850	0.000	1	108.1960	5.462	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:1:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]N[5]2)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CC[5]CH)(H)	C(C[5]N[5]2)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CC[5]CH)(H)	106.5730	0.000	1	106.5730	0.000	1	106.5730	0.000	1	108.1960	5.462	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:1:	C[5]-3:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	O(CC[5]CH)(H)	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	108.1960	5.462	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	C(CC[5a]HO)(CCHO)(OH)(H)	O(CC[5a]CH)(H)	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	C(CC[5a]HO)(CCHO)(OH)(H)	O(CC[5a]CH)(H)	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	108.1960	5.462	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CHHO)(CC)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CHHO)(CC)(H)	O(CC[6a]CH)(H)	110.3190	0.604	2	110.3190	0.365	2	110.3190	0.365	2	108.1960	5.462	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NC)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NC)(H)	O(CC[6a]CH)(H)	106.0120	0.000	2	106.0120	0.000	2	105.1440	2.260	3	108.1960	5.462	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NS)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NS)(H)	O(CC[6a]CH)(H)	103.4080	0.000	1	103.4080	0.000	1	105.1440	2.260	3	108.1960	5.462	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(H)	106.2870	0.226	2	106.2870	0.051	2	107.9324	2.980	7	108.1960	5.462	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCHH)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCHH)(OH)(H)	O(CC[6a]CH)(H)	109.3675	1.421	2	109.3675	2.018	2	107.9324	2.980	7	108.1960	5.462	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCHN)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCHN)(OH)(H)	O(CC[6a]CH)(H)	106.0380	0.000	1	106.0380	0.000	1	107.9324	2.980	7	108.1960	5.462	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CHHO)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CHHO)(OH)(H)	O(CC[6a]CH)(H)	109.0900	0.102	2	109.0900	0.010	2	107.9324	2.980	7	108.1960	5.462	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:P-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHOP)(OH)(H)	C(CC[6a]HO)(PO3)(OC)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHOP)(OH)(H)	C(CC[6a]HO)(PO3)(OC)(H)	O(CC[6a]CH)(H)	110.0485	3.516	2	110.0485	12.365	2	110.0485	12.365	2	108.1960	5.462	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(CC[6a]HH)	112.3610	0.403	2	112.3610	0.162	2	108.3298	9.889	6	107.1939	11.671	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CClHH)(OH)(H)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CClHH)(OH)(H)	O(CC[6a]CH)(CH3)	106.6245	0.347	2	106.6245	0.121	2	108.3298	9.889	6	107.1939	11.671	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CH3)(OH)(H)	O(CC[6a]CH)2	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CH3)(OH)(H)	O(CC[6a]CH)2	106.0040	0.157	2	106.0040	0.025	2	108.3298	9.889	6	107.1939	11.671	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	C(CC[6a]HO)(CCCH)(OH)(H)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	C(CC[6a]HO)(CCCH)(OH)(H)	O(CC[6a]CH)(SiC3)	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	107.1939	11.671	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(CHHO)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(CHHO)	101.8640	0.000	1	101.8640	0.000	1	103.2445	3.812	2	107.1939	11.671	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:2:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	O(CC[6a]CH)(CH3)	104.6250	0.000	1	104.6250	0.000	1	103.2445	3.812	2	107.1939	11.671	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CC[5a]O)(CCHN)(OH)(H)	C(CCHO)(CH3)(NCC)(H)	O(CCCH)(H)	C(CC[5a]O)(CCHN)(OH)(H)	C(CCHO)(CH3)(NCC)(H)	O(CCCH)(H)	110.7480	0.000	1	110.7480	0.000	1	111.3593	0.411	3	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CN[5]O)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	O(CCCH)(H)	C(CN[5]O)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	O(CCCH)(H)	111.6650	0.511	2	111.6650	0.261	2	111.3593	0.411	3	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[5a]C[5a]O[5a])(CCCH)(OH)(H)	C(CC[5a]HO)(CCHH)(CCC)(H)	O(CC[5a]CH)(H)	C(C[5a]C[5a]O[5a])(CCCH)(OH)(H)	C(CC[5a]HO)(CCHH)(CCC)(H)	O(CC[5a]CH)(H)	112.5945	0.400	4	112.5945	0.160	4	112.5945	0.160	4	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(COO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(COO)(H)	O(CC[6a]CH)(H)	112.4330	0.000	1	112.4330	0.000	1	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(COS)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(COS)(H)	O(CC[6a]CH)(H)	112.4050	0.000	1	112.4050	0.000	1	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CN)(CC[6a]HO)(CCH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CN)(CC[6a]HO)(CCH)(H)	O(CC[6a]CH)(H)	107.6280	0.000	1	107.6280	0.000	1	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CO)(CC[6a]HO)(CCH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CO)(CC[6a]HO)(CCH)(H)	O(CC[6a]CH)(H)	107.3190	0.000	1	107.3190	0.000	1	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HH)(CC[6a]HO)(CCO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HH)(CC[6a]HO)(CCO)(H)	O(CC[6a]CH)(H)	111.5970	1.359	2	111.5970	1.847	2	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCF)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCF)(H)	O(CC[6a]CH)(H)	106.8670	0.000	1	106.8670	0.000	1	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCH)(H)	O(CC[6a]CH)(H)	108.1755	0.009	2	108.1755	0.000	2	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCO)(H)	O(CC[6a]CH)(H)	105.8777	0.569	6	105.8777	0.324	6	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHN)(COO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHN)(COO)(H)	O(CC[6a]CH)(H)	108.7330	3.442	2	108.7330	11.849	2	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CClHH)(CCO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CClHH)(CCO)(H)	O(CC[6a]CH)(H)	105.7730	0.000	1	105.7730	0.000	1	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CF3)(CCO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CF3)(CCO)(H)	O(CC[6a]CH)(H)	103.9960	0.000	1	103.9960	0.000	1	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CCH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CCH)(H)	O(CC[6a]CH)(H)	108.3558	1.529	5	108.3558	2.337	5	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CCN)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CCN)(H)	O(CC[6a]CH)(H)	108.0410	0.000	1	108.0410	0.000	1	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CCO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CCO)(H)	O(CC[6a]CH)(H)	107.7430	0.077	4	107.7430	0.006	4	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CNO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CNO)(H)	O(CC[6a]CH)(H)	110.9775	1.303	2	110.9775	1.698	2	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(COO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(COO)(H)	O(CC[6a]CH)(H)	105.0280	0.000	1	105.0280	0.000	1	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CHHP)(COO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CHHP)(COO)(H)	O(CC[6a]CH)(H)	106.6010	0.000	1	106.6010	0.000	1	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]HH)(CCO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]HH)(CCO)(H)	O(CC[6a]CH)(H)	107.9950	3.883	2	107.9950	15.081	2	107.9733	5.495	35	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CCCH)(NHS)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CCCH)(NHS)(H)	O(CC[6a]CH)(H)	105.9995	1.319	2	105.9995	1.739	2	107.5793	6.079	26	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	O(CC[6a]CH)(H)	107.9183	1.507	9	107.9183	2.271	9	107.5793	6.079	26	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCH)(H)	O(CC[6a]CH)(H)	109.6973	2.579	7	109.6973	6.651	7	107.5793	6.079	26	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCP)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCP)(H)	O(CC[6a]CH)(H)	105.4792	2.933	4	105.4792	8.600	4	107.5793	6.079	26	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCS)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCS)(H)	O(CC[6a]CH)(H)	106.1810	0.000	1	106.1810	0.000	1	107.5793	6.079	26	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NOO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NOO)(H)	O(CC[6a]CH)(H)	105.1150	0.000	1	105.1150	0.000	1	107.5793	6.079	26	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NCH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NCH)(H)	O(CC[6a]CH)(H)	105.9980	0.000	1	105.9980	0.000	1	107.5793	6.079	26	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NHH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NHH)(H)	O(CC[6a]CH)(H)	106.7050	0.000	1	106.7050	0.000	1	107.5793	6.079	26	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NH3)(CNO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NH3)(CNO)(H)	O(CC[6a]CH)(H)	107.3340	0.000	1	107.3340	0.000	1	105.5437	3.021	3	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NH3)(COO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NH3)(COO)(H)	O(CC[6a]CH)(H)	104.6485	1.111	2	104.6485	1.234	2	105.5437	3.021	3	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:S-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HO)(SC3)(CCH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HO)(SC3)(CCH)(H)	O(CC[6a]CH)(H)	107.7090	0.259	2	107.7090	0.067	2	107.7090	0.067	2	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5]CH)(OH)(H)	C(C[5]C[5]2H)(CC[6a]HO)(CCH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[5]CH)(OH)(H)	C(C[5]C[5]2H)(CC[6a]HO)(CCH)(H)	O(CC[6a]CH)(H)	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	108.1503	6.739	74	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCH)(CCH)(H)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCH)(CCH)(H)	O(CC[6a]CH)(CH3)	105.6590	0.000	1	105.6590	0.000	1	107.4604	7.562	7	107.3400	5.658	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCHH)(CCH)(H)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCHH)(CCH)(H)	O(CC[6a]CH)(CC[6a]HH)	104.6460	0.000	1	104.6460	0.000	1	107.4604	7.562	7	107.3400	5.658	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CH3)(CCH)(H)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CH3)(CCH)(H)	O(CC[6a]CH)(CH3)	106.1580	0.000	1	106.1580	0.000	1	107.4604	7.562	7	107.3400	5.658	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CH3)(CHN)(H)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CH3)(CHN)(H)	O(CC[6a]CH)(CH3)	106.5700	0.000	2	106.5700	0.000	2	107.4604	7.562	7	107.3400	5.658	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CN[5a]HH)(COO)(H)	O(CC[5a]CH)(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CN[5a]HH)(COO)(H)	O(CC[5a]CH)(CC[6a]CH)	112.1120	0.000	1	112.1120	0.000	1	107.4604	7.562	7	107.3400	5.658	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CN[5a]HH)(COO)(H)	O(CC[5a]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CN[5a]HH)(COO)(H)	O(CC[5a]HH)(CC[6a]CH)	110.5080	0.000	1	110.5080	0.000	1	107.4604	7.562	7	107.3400	5.658	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:Si-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CCHH)(CCO)(H)	O(CC[6a]CH)(SiCCO)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CCHH)(CCO)(H)	O(CC[6a]CH)(SiCCO)	111.4290	0.000	1	111.4290	0.000	1	108.8992	7.582	4	107.3400	5.658	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:Si-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CH3)(CCC)(H)	O(CC[6a]CH)(SiCCO)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CH3)(CCC)(H)	O(CC[6a]CH)(SiCCO)	109.5950	0.031	2	109.5950	0.001	2	108.8992	7.582	4	107.3400	5.658	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:Si-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CH3)(CNO)(H)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CH3)(CNO)(H)	O(CC[6a]CH)(SiC3)	104.9780	0.000	1	104.9780	0.000	1	108.8992	7.582	4	107.3400	5.658	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	O(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	O(CC[6a]CH)(CC[6a]HH)	106.5960	1.051	6	106.5960	1.104	6	106.2792	2.400	10	107.3400	5.658	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCP)(H)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCP)(H)	O(CC[6a]CH)(CH3)	105.8040	2.204	4	105.8040	4.859	4	106.2792	2.400	10	107.3400	5.658	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:Si-4:	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C(CC[6a]HO)(CCCH)(NCC)(H)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C(CC[6a]HO)(CCCH)(NCC)(H)	O(CC[6a]CH)(SiC3)	107.1730	0.000	1	107.1730	0.000	1	107.1730	0.000	1	107.3400	5.658	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	P-4:C-4:	C(C[6a]C[6a]2)(CCHN)(OP)(H)	C(CC[6a]HO)(CH3)(NCP)(H)	O(PC[6a]2Ru)(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(OP)(H)	C(CC[6a]HO)(CH3)(NCP)(H)	O(PC[6a]2Ru)(CC[6a]CH)	111.0350	0.000	1	111.0350	0.000	1	111.0350	0.000	1	107.3400	5.658	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:2:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CC[6a]HH)(CC[6a]HO)(COO)(OH)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CC[6a]HH)(CC[6a]HO)(COO)(OH)	O(CC[6a]CH)(H)	106.1740	0.240	2	106.1740	0.058	2	107.2716	7.498	5	107.2716	7.498	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:2:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CC[6a]HO)(CBrCH)(COO)(OH)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CC[6a]HO)(CBrCH)(COO)(OH)	O(CC[6a]CH)(H)	112.1600	0.000	1	112.1600	0.000	1	107.2716	7.498	5	107.2716	7.498	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:2:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CC[6a]HO)(CCHH)(CCH)(OH)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CC[6a]HO)(CCHH)(CCH)(OH)	O(CC[6a]CH)(H)	105.9250	0.031	2	105.9250	0.001	2	107.2716	7.498	5	107.2716	7.498	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:3:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:C-3:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CCHH)(COO)2	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CCHH)(COO)2	O(CC[6a]CH)(H)	108.3760	0.000	1	108.3760	0.000	1	108.3760	0.000	1	109.7340	3.688	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:3:3:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C(CC[6a]HO)(CH3)(CCO)(NCH)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C(CC[6a]HO)(CH3)(CCO)(NCH)	O(CC[6a]CH)(H)	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	109.7340	3.688	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[5a]C[5a]N[5a])(CCCH)(OH)(H)	C(CC[5a]HO)(CCHH)2(H)	O(CC[5a]CH)(H)	C(C[5a]C[5a]N[5a])(CCCH)(OH)(H)	C(CC[5a]HO)(CCHH)2(H)	O(CC[5a]CH)(H)	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6])(CCCH)(OH)(H)	C(CC[6]HO)(CH3)2(H)	O(CC[6]CH)(H)	C(C[6]C[6]N[6])(CCCH)(OH)(H)	C(CC[6]HO)(CH3)2(H)	O(CC[6]CH)(H)	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6]-3:C-4:O-2:H-1:	C-4:N-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2)(CCHN)(OH)(H)	C(CC[6]HO)(NCHH)(CH3)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2)(CCHN)(OH)(H)	C(CC[6]HO)(NCHH)(CH3)(H)	O(CC[6]CH)(H)	108.2225	4.122	2	108.2225	16.989	2	108.2225	16.989	2	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)2(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)2(H)	O(CC[6a]CH)(H)	110.2970	0.000	1	110.2970	0.000	1	108.5611	3.712	14	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCCH)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCCH)(CH3)(H)	O(CC[6a]CH)(H)	107.8910	0.000	1	107.8910	0.000	1	108.5611	3.712	14	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCCH)(CHHO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCCH)(CHHO)(H)	O(CC[6a]CH)(H)	109.0930	0.000	1	109.0930	0.000	1	108.5611	3.712	14	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCHO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCHO)(H)	O(CC[6a]CH)(H)	108.3790	0.000	1	108.3790	0.000	1	108.5611	3.712	14	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CH3)(H)	O(CC[6a]CH)(H)	112.2900	0.000	1	112.2900	0.000	1	108.5611	3.712	14	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)2(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)2(H)	O(CC[6a]CH)(H)	107.1860	0.000	1	107.1860	0.000	1	108.5611	3.712	14	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	O(CC[6a]CH)(H)	106.2900	0.000	1	106.2900	0.000	1	108.5611	3.712	14	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)2(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)2(H)	O(CC[6a]CH)(H)	107.9850	0.000	1	107.9850	0.000	1	108.5611	3.712	14	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CHHN)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CHHN)(CH3)(H)	O(CC[6a]CH)(H)	107.5070	0.000	1	107.5070	0.000	1	108.5611	3.712	14	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	O(CC[6a]CH)(H)	109.1620	0.000	1	109.1620	0.000	1	108.5611	3.712	14	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CSiHH)(CCHO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CSiHH)(CCHO)(H)	O(CC[6a]CH)(H)	106.4630	0.000	1	106.4630	0.000	1	108.5611	3.712	14	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)2(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)2(CH3)(H)	O(CC[6a]CH)(H)	108.3950	3.663	2	108.3950	13.416	2	108.5611	3.712	14	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]N[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)2(H)	O(CC[6a]CH)(H)	C(C[6a]N[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)2(H)	O(CC[6a]CH)(H)	110.5230	0.000	1	110.5230	0.000	1	108.5611	3.712	14	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NC3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NC3)(H)	O(CC[6a]CH)(H)	109.2270	0.445	2	109.2270	0.198	2	108.4621	2.118	9	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NH3)(H)	O(CC[6a]CH)(H)	108.6770	0.000	1	108.6770	0.000	1	108.4621	2.118	9	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NCCH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NCCH)(H)	O(CC[6a]CH)(H)	108.1713	1.733	6	108.1713	3.004	6	108.4621	2.118	9	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:S-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	O(CC[6a]CH)(H)	109.9457	3.677	3	109.9457	13.523	3	109.9457	13.523	3	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NCCH)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NCCH)(CH3)(H)	O(CC[6a]CH)(H)	108.5576	1.123	40	108.5576	1.260	40	107.8106	2.390	81	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NCHH)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NCHH)(CH3)(H)	O(CC[6a]CH)(H)	106.9609	1.469	39	106.9609	2.157	39	107.8106	2.390	81	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NPdHH)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NPdHH)(CH3)(H)	O(CC[6a]CH)(H)	109.4385	2.075	2	109.4385	4.307	2	107.8106	2.390	81	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:P-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	O(CC[6a]CH)(H)	111.8260	0.000	1	111.8260	0.000	1	107.1940	10.030	4	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:P-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	O(CC[6a]CH)(H)	105.6500	0.861	3	105.6500	0.741	3	107.1940	10.030	4	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:S-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	O(CC[6a]CH)(H)	110.7020	0.095	4	110.7020	0.009	4	110.7020	0.009	4	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	N[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	O(CC[6a]CH)(H)	110.0420	0.000	1	110.0420	0.000	1	110.0420	0.000	1	108.1079	3.248	120	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:Br-1:	C-4:C-4:	C(C[6a]C[6a]2)(CBrCC)(OC)(H)	C(CC[6a]HO)(CHHN)(CH3)(Br)	O(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(CBrCC)(OC)(H)	C(CC[6a]HO)(CHHN)(CH3)(Br)	O(CC[6a]CH)(CCCH)	107.8235	0.671	2	107.8235	0.450	2	107.8235	0.450	2	109.8903	5.664	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	O(CC[6a]CH)(CH3)	107.1530	0.000	1	107.1530	0.000	1	107.1530	0.000	1	109.8903	5.664	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CCCO)(CH3)(H)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CCCO)(CH3)(H)	O(CC[6a]CH)(SiC3)	110.1520	0.000	1	110.1520	0.000	1	111.6080	1.898	4	109.8903	5.664	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:1:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CH3)2(H)	O(CC[6a]CH)(SiC3)	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CH3)2(H)	O(CC[6a]CH)(SiC3)	112.0933	1.197	3	112.0933	1.434	3	111.6080	1.898	4	109.8903	5.664	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:2:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-2:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CCHH)(CH3)(CN)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CCHH)(CH3)(CN)	O(CC[6a]CH)(H)	105.0180	0.000	1	105.0180	0.000	1	105.9615	1.780	2	105.9615	1.780	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:2:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-2:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)2(CC)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)2(CC)	O(CC[6a]CH)(H)	106.9050	0.000	1	106.9050	0.000	1	105.9615	1.780	2	105.9615	1.780	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:3:	4:1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(C[5a]C[5a]O[5a])(CC3)(OH)(H)	C(CC[5a]HO)(CH3)2(CCS)	O(CC[5a]CH)(H)	C(C[5a]C[5a]O[5a])(CC3)(OH)(H)	C(CC[5a]HO)(CH3)2(CCS)	O(CC[5a]CH)(H)	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	107.9365	2.900	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:3:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CCHH)(CH3)(CCS)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CCHH)(CH3)(CCS)	O(CC[6a]CH)(H)	107.5830	0.000	2	107.5830	0.000	2	108.0140	3.580	5	107.9365	2.900	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:3:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)2(CCO)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)2(CCO)	O(CC[6a]CH)(H)	111.3220	0.000	1	111.3220	0.000	1	108.0140	3.580	5	107.9365	2.900	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:3:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CHHS)(CH3)(CCH)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CHHS)(CH3)(CCH)	O(CC[6a]CH)(H)	106.8760	0.000	1	106.8760	0.000	1	108.0140	3.580	5	107.9365	2.900	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:3:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	O(CC[6a]CH)(H)	106.7060	0.000	1	106.7060	0.000	1	108.0140	3.580	5	107.9365	2.900	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:3:	4:4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:N-3:	C-4:C-4:	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	C(CC[5a]HO)(CF3)(CH3)(NHO)	O(CC[5a]CH)(CC[6a]HH)	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	C(CC[5a]HO)(CF3)(CH3)(NHO)	O(CC[5a]CH)(CC[6a]HH)	104.6510	0.000	1	104.6510	0.000	1	104.6510	0.000	1	105.5670	1.678	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:3:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]HO)(CCHH)(CH3)(CCC)	O(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]HO)(CCHH)(CH3)(CCC)	O(CC[6a]CH)(CH3)	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	105.5670	1.678	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:4:	4:1:	C-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CN[5]C)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	C(CN[5]C)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	108.4378	0.417	6	108.4378	0.174	6	109.0160	1.547	8	109.1621	3.880	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:4:	4:1:	C-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CN[5a]C)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	C(CN[5a]C)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	110.7505	1.391	2	110.7505	1.935	2	109.0160	1.547	8	109.1621	3.880	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	O(CC[6a]CH)(H)	108.8875	2.979	2	108.8875	8.875	2	109.3958	8.823	5	109.1621	3.880	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)3	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)3	O(CC[6a]CH)(H)	107.7210	1.107	2	107.7210	1.226	2	109.3958	8.823	5	109.1621	3.880	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:4:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(C[6a]N[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)3	O(CC[6a]CH)(H)	C(C[6a]N[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)3	O(CC[6a]CH)(H)	113.7620	0.000	1	113.7620	0.000	1	109.3958	8.823	5	109.1621	3.880	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:4:	4:4:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(C[5]C[5]2)(CC3)(OC)(H)	C(CC[5]HO)(CH3)3	O(CC[5]CH)(CCHH)	C(C[5]C[5]2)(CC3)(OC)(H)	C(CC[5]HO)(CH3)3	O(CC[5]CH)(CCHH)	105.8510	0.000	1	105.8510	0.000	1	106.0150	0.054	2	108.5066	5.924	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:4:	4:4:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(C[5]C[5]2)(CC3)(OC)(H)	C(CC[5]HO)(CH3)3	O(CC[5]CH)(CH3)	C(C[5]C[5]2)(CC3)(OC)(H)	C(CC[5]HO)(CH3)3	O(CC[5]CH)(CH3)	106.1790	0.000	1	106.1790	0.000	1	106.0150	0.054	2	108.5066	5.924	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:4:	4:4:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	P-4:C-4:	C(C[5]N[5]O[5])(CC3)(OP)(H)	C(CC[5]HO)(CH3)3	O(PC[6a]2Ir)(CC[5]CH)	C(C[5]N[5]O[5])(CC3)(OP)(H)	C(CC[5]HO)(CH3)3	O(PC[6a]2Ir)(CC[5]CH)	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	108.5066	5.924	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(C[6a]C[5,6a]C[6a])(CC3)(OC)(H)	C(CC[6a]HO)(CH3)3	O(CC[6a]CH)(CHHO)	C(C[6a]C[5,6a]C[6a])(CC3)(OC)(H)	C(CC[6a]HO)(CH3)3	O(CC[6a]CH)(CHHO)	106.9330	0.000	1	106.9330	0.000	1	106.9330	0.000	1	108.5066	5.924	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:4:4:4:	4:4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CC3)(OSi)(H)	C(CC[6a]HO)(CCHH)(CH3)2	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CC3)(OSi)(H)	C(CC[6a]HO)(CCHH)(CH3)2	O(CC[6a]CH)(SiC3)	111.0293	0.491	3	111.0293	0.241	3	111.0293	0.241	3	108.5066	5.924	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:1:	4:6:3:1:	4:1:	C[6a]-3:C-4:O-2:H-1:	C-4:S-6:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HO)(SF5)(COO)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HO)(SF5)(COO)(H)	O(CC[6a]CH)(H)	105.9070	0.000	1	105.9070	0.000	1	105.9070	0.000	1	105.9070	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	104.5845	0.228	2	104.5845	0.052	2	106.6210	12.468	3	106.6210	12.468	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	110.6940	0.000	1	110.6940	0.000	1	106.6210	12.468	3	106.6210	12.468	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	3:4:1:1:	4:4:	C[6a]-3:C-4:O-2:C-2:	C[6a]-3:C-4:H-1:H-1:	Si[5]-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OSi[5])(CC)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	O(Si[5]C[5,6a]C[5]C)(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(OSi[5])(CC)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	O(Si[5]C[5,6a]C[5]C)(CC[6a]CC)	106.0240	0.106	2	106.0240	0.011	2	106.0240	0.011	2	106.0240	0.011	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	3:4:2:1:	4:1:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CC)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CC)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	O(CC[6a]CC)(H)	110.5020	0.000	1	110.5020	0.000	1	110.5020	0.000	1	110.5020	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	3:4:3:1:	4:4:	C[6a]-3:C-4:O-2:O-2:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OC)2	C(C[6a]C[6a]2)(CC[6a]OO)(NCH)(H)	O(CC[6a]CO)(CH3)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)2	C(C[6a]C[6a]2)(CC[6a]OO)(NCH)(H)	O(CC[6a]CO)(CH3)	105.0280	0.000	1	105.0280	0.000	1	105.0280	0.000	1	105.0280	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	4:1:1:1:	2:4:	C[6a]-3:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	O-2:C-4:	C(C[6a]C[6a]2)(CH3)(OH)(OO)	C(CC[6a]OO)(H)3	O(OC[5,5,6])(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OH)(OO)	C(CC[6a]OO)(H)3	O(OC[5,5,6])(CC[6a]CO)	102.2130	0.000	1	102.2130	0.000	1	102.2130	0.000	1	102.2130	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	4:1:1:1:	4:1:	C-3:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CN[5]O)(CH3)(CC)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CN[5]O)(CH3)(CC)(OH)	C(CCCO)(H)3	O(CC3)(H)	109.7380	0.066	2	109.7380	0.004	2	109.7380	0.004	2	108.4505	6.543	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-2:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CF3)(CC)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CF3)(CC)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	104.9910	1.769	3	104.9910	3.128	3	104.9910	3.128	3	108.4505	6.543	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(CC)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)(CC)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	110.0090	0.816	2	110.0090	0.666	2	110.2053	0.449	3	108.4505	6.543	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CH3)(CC)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(CH3)(CC)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	110.5980	0.000	1	110.5980	0.000	1	110.2053	0.449	3	108.4505	6.543	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:O-2:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CF3)(OH)2	C(CC[6a]OO)(F)3	O(CC[6a]CO)(H)	C(C[6a]C[6a]N[6a])(CF3)(OH)2	C(CC[6a]OO)(F)3	O(CC[6a]CO)(H)	108.1830	0.474	2	108.1830	0.224	2	108.1830	0.224	2	108.4505	6.543	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(OH)(OO)	C(CC[6a]OO)(H)3	O(CC[6a]CO)(H)	C(C[6a]C[6a]2)(CH3)(OH)(OO)	C(CC[6a]OO)(H)3	O(CC[6a]CO)(H)	111.5250	0.000	1	111.5250	0.000	1	111.5250	0.000	1	108.4505	6.543	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	4:1:1:1:	4:4:	C[6]-3:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6]C[6]N[6])(CH3)(OC)2	C(CC[6]OO)(H)3	O(CC[6]CO)(CH3)	C(C[6]C[6]N[6])(CH3)(OC)2	C(CC[6]OO)(H)3	O(CC[6]CO)(CH3)	110.0947	5.195	6	110.0947	26.987	6	110.0947	26.987	6	109.4451	29.794	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	4:1:1:1:	4:4:	C[6a]-3:C-4:O-2:O-2:	C-4:Br-1:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CBrHH)(OC)2	C(CC[6a]OO)(Br)(H)2	O(CC[6a]CO)(CH3)	C(C[6a]C[6a]2)(CBrHH)(OC)2	C(CC[6a]OO)(Br)(H)2	O(CC[6a]CO)(CH3)	107.4965	7.968	2	107.4965	63.495	2	107.4965	63.495	2	109.4451	29.794	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-2:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CCHH)(CC)(OH)	C(CC[6a]CO)(CH3)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(CCHH)(CC)(OH)	C(CC[6a]CO)(CH3)(H)2	O(CC[6a]CC)(H)	108.5330	0.000	1	108.5330	0.000	1	108.5330	0.000	1	108.5330	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	4:4:3:1:	4:1:	C[6a]-3:C-4:C-2:O-2:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(CC)(OH)	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OH)	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	O(CC[6a]CC)(H)	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:2:2:	4:4:4:1:	4:4:	C[6a]-3:C-4:O-2:O-2:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(C[6a]C[6a]2)(CCCH)(OSi)2	C(CC[6a]OO)(CCHH)(CH3)(H)	O(CC[6a]CO)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)2	C(CC[6a]OO)(CCHH)(CH3)(H)	O(CC[6a]CO)(SiC3)	108.8310	0.776	4	108.8310	0.602	4	108.8310	0.602	4	108.8310	0.602	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5a]HH)(COO)(OH)	C(C[5a]C[5a]O[5a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[5a]HH)(COO)(OH)	C(C[5a]C[5a]O[5a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	109.8374	5.774	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	C(C[6]C[6]2)(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	C(C[6]C[6]2)(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	111.3917	0.483	3	111.3917	0.233	3	109.8577	9.567	4	109.8374	5.774	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	C(C[6]C[6]O[6])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	C(C[6]C[6]O[6])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	105.2560	0.000	1	105.2560	0.000	1	109.8577	9.567	4	109.8374	5.774	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CNO)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CNO)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	110.8515	0.371	2	110.8515	0.138	2	110.8515	0.138	2	109.8374	5.774	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[6a]HH)(CHO)(OH)	C(N[6a]C[6a]2)(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[6a]HH)(CHO)(OH)	C(N[6a]C[6a]2)(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	110.6920	0.000	1	110.6920	0.000	1	110.6920	0.000	1	109.8374	5.774	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:2:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CCC)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCC)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	O(CC[6a]CC)(H)	112.9020	0.000	1	112.9020	0.000	1	111.8560	2.188	2	111.8560	2.188	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:2:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OSi)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OSi)(H)	O(CC[6a]CC)(H)	110.8100	0.000	1	110.8100	0.000	1	111.8560	2.188	2	111.8560	2.188	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:2:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	O(CC[6a]CC)(CC[6a]HH)	105.2500	0.000	1	105.2500	0.000	1	105.2500	0.000	1	105.2500	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:3:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	O(CC[6a]CC)(H)	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:3:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	O(CC[6a]CC)(CC[6a]HH)	103.3100	0.000	1	103.3100	0.000	1	107.6125	37.023	2	107.6097	16.006	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:3:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	O(CC[6a]CC)(CC[6a]HO)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	O(CC[6a]CC)(CC[6a]HO)	111.9150	0.000	1	111.9150	0.000	1	107.6125	37.023	2	107.6097	16.006	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:3:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	O(CC[6a]CC)(CCHO)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	O(CC[6a]CC)(CCHO)	111.0490	0.000	1	111.0490	0.000	1	106.6800	16.334	3	107.6097	16.006	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:3:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	O(CC[6a]CC)(CC[6a]HH)	104.4955	2.009	2	104.4955	4.036	2	106.6800	16.334	3	107.6097	16.006	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:3:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:N-3:H-1:	C-4:P-4:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OP)	C(C[6a]C[6a]2)(CC[6a]CO)(NHS)(H)	O(CC[6a]CC)(PO3)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OP)	C(C[6a]C[6a]2)(CC[6a]CO)(NHS)(H)	O(CC[6a]CC)(PO3)	110.3930	0.000	1	110.3930	0.000	1	110.3930	0.000	1	107.6097	16.006	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:4:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	O(CC[6a]CC)(H)	109.2913	1.646	4	109.2913	2.710	4	108.8428	3.038	5	108.8428	3.038	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:4:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(H)	O(CC[6a]CC)(H)	107.0490	0.000	1	107.0490	0.000	1	108.8428	3.038	5	108.8428	3.038	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:4:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	O(CC[6a]CC)(CC[6a]HH)	103.0240	0.000	1	103.0240	0.000	1	103.0240	0.000	1	106.9925	31.498	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	3:4:4:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:P-4:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OP)	C(C[6a]C[6a]2)(CC[6a]CO)(CHHN)(H)	O(CC[6a]CC)(PO3)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OP)	C(C[6a]C[6a]2)(CC[6a]CO)(CHHN)(H)	O(CC[6a]CC)(PO3)	110.9610	0.000	1	110.9610	0.000	1	110.9610	0.000	1	106.9925	31.498	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:1:	C-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6]O)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6]O)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	108.6275	0.279	2	108.6275	0.078	2	108.6275	0.078	2	107.5867	7.222	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:1:	C[5a]-3:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(CF3)(COO)(OH)	C(CC[5a]CO)(F)3	O(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(CF3)(COO)(OH)	C(CC[5a]CO)(F)3	O(CC[5a]CC)(H)	106.4610	0.000	1	106.4610	0.000	1	104.9333	2.106	3	107.5867	7.222	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:1:	C[5a]-3:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[5a]C[5a]N[5a])(CF3)(COO)(OH)	C(CC[5a]CO)(F)3	O(CC[5a]CC)(H)	C(C[5a]C[5a]N[5a])(CF3)(COO)(OH)	C(CC[5a]CO)(F)3	O(CC[5a]CC)(H)	104.1695	0.844	2	104.1695	0.712	2	104.9333	2.106	3	107.5867	7.222	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:1:	C[6]-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]N[6]2)(CH3)(CNS)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	C(C[6]N[6]2)(CH3)(CNS)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	108.3060	0.000	1	108.3060	0.000	1	108.3060	0.000	1	107.5867	7.222	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CF3)(CNO)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	C(C[6a]C[6a,6a]C[6a])(CF3)(CNO)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	105.2460	0.000	1	105.2460	0.000	1	104.1910	2.226	2	107.5867	7.222	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CF3)(COO)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CF3)(COO)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	103.1360	0.000	1	103.1360	0.000	1	104.1910	2.226	2	107.5867	7.222	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)(CCH)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	109.9505	0.040	2	109.9505	0.002	2	109.9768	1.180	5	107.5867	7.222	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(CCO)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)(CCO)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	108.2670	0.000	1	108.2670	0.000	1	109.9768	1.180	5	107.5867	7.222	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(CNN)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)(CNN)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	111.2050	0.000	1	111.2050	0.000	1	109.9768	1.180	5	107.5867	7.222	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(CNO)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)(CNO)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	110.5110	0.000	1	110.5110	0.000	1	109.9768	1.180	5	107.5867	7.222	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:3:	C-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:N-3:	C(CC[6a]O)(CH3)(COS)(ON)	C(CCCO)(H)3	O(CC3)(NCH)	C(CC[6a]O)(CH3)(COS)(ON)	C(CCCO)(H)3	O(CC3)(NCH)	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(CH3)	107.8358	2.553	4	107.8358	6.518	4	106.8923	12.191	25	107.9665	14.347	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(C[6a]C[6a]2)(CF3)(COO)(OC)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CF3)(COO)(OC)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(CH3)	106.7126	3.666	21	106.7126	13.440	21	106.8923	12.191	25	107.9665	14.347	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:Si-4:	C(C[6a]C[6a]2)(CF3)(CCH)(OSi)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(SiC3)	C(C[6a]C[6a]2)(CF3)(CCH)(OSi)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(SiC3)	102.4520	0.000	1	102.4520	0.000	1	102.4520	0.000	1	107.9665	14.347	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(CNO)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CH3)	C(C[6a]C[6a,6a]C[6a])(CH3)(CNO)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CH3)	110.2560	0.000	1	110.2560	0.000	1	110.1915	0.654	8	107.9665	14.347	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CH3)	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CH3)	109.9508	0.953	5	109.9508	0.908	5	110.1915	0.654	8	107.9665	14.347	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CH3)(CNO)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CH3)(CNO)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CH3)	110.7610	0.008	2	110.7610	0.000	2	110.1915	0.654	8	107.9665	14.347	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:1:1:1:	4:4:	N[5a]-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(N[5a]C[5a,6a]2)(CH3)(COO)(OC)	C(CN[5a]CO)(H)3	O(CN[5a]CC)(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(COO)(OC)	C(CN[5a]CO)(H)3	O(CN[5a]CC)(CN[5a]CH)	115.2505	0.070	2	115.2505	0.005	2	115.2505	0.005	2	107.9665	14.347	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:2:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:N-2:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	C(CC[6a]CO)(NN)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	C(CC[6a]CO)(NN)(H)2	O(CC[6a]CC)(H)	108.9120	0.000	1	108.9120	0.000	1	108.9120	0.000	1	110.2090	1.574	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:2:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(COO)(OH)	C(CC[6a]CO)(OC)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHO)(COO)(OH)	C(CC[6a]CO)(OC)(H)2	O(CC[6a]CC)(H)	110.8575	0.790	2	110.8575	0.624	2	110.8575	0.624	2	110.2090	1.574	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:2:2:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-2:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	C(CC[6a]CO)(CC)(OH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	C(CC[6a]CO)(CC)(OH)(H)	O(CC[6a]CC)(H)	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:2:2:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C-4:C-2:O-2:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCHO)(COO)(OC)	C(CC[6a]CO)(CC)(OH)(H)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CCHO)(COO)(OC)	C(CC[6a]CO)(CC)(OH)(H)	O(CC[6a]CC)(CC[6a]HH)	110.7240	0.000	1	110.7240	0.000	1	110.7240	0.000	1	105.0872	14.288	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:2:2:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C-4:O-2:O-2:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CHOO)(COO)(OC)	C(CC[6a]CO)(OC)2(H)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CHOO)(COO)(OC)	C(CC[6a]CO)(OC)2(H)	O(CC[6a]CC)(CH3)	103.2083	0.500	3	103.2083	0.250	3	103.2083	0.250	3	105.0872	14.288	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)(OH)	C(CC[6a]CO)(CNO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)(OH)	C(CC[6a]CO)(CNO)(H)2	O(CC[6a]CC)(H)	109.1690	0.000	1	109.1690	0.000	1	108.6818	4.777	5	108.8860	3.668	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	C(CC[6a]CO)(CCC)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	C(CC[6a]CO)(CCC)(H)2	O(CC[6a]CC)(H)	111.7640	0.000	1	111.7640	0.000	1	108.6818	4.777	5	108.8860	3.668	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	C(CC[6a]CO)(CCH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	C(CC[6a]CO)(CCH)(H)2	O(CC[6a]CC)(H)	106.5695	0.135	2	106.5695	0.018	2	108.6818	4.777	5	108.8860	3.668	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	C(CC[6a]CO)(COO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	C(CC[6a]CO)(COO)(H)2	O(CC[6a]CC)(H)	109.3370	0.000	1	109.3370	0.000	1	108.6818	4.777	5	108.8860	3.668	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	C(CC[6a]CO)(NCH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	C(CC[6a]CO)(NCH)(H)2	O(CC[6a]CC)(H)	110.4380	0.000	1	110.4380	0.000	1	109.3965	2.169	2	108.8860	3.668	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	C(CC[6a]CO)(NOO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	C(CC[6a]CO)(NOO)(H)2	O(CC[6a]CC)(H)	108.3550	0.000	1	108.3550	0.000	1	109.3965	2.169	2	108.8860	3.668	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:3:1:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(OC)	C(CC[6a]CO)(CCH)(H)2	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CCHH)(COO)(OC)	C(CC[6a]CO)(CCH)(H)2	O(CC[6a]CC)(CC[6a]HH)	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	109.3480	8.435	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:3:1:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	C(CC[6a]CO)(NCC)(H)2	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	C(CC[6a]CO)(NCC)(H)2	O(CC[6a]CC)(CC[6a]HH)	108.0490	0.000	1	108.0490	0.000	1	107.6845	0.266	2	109.3480	8.435	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:3:1:1:	4:4:	C[6a]-3:C-4:C-3:O-2:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	C(CC[6a]CO)(NCC)(H)2	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	C(CC[6a]CO)(NCC)(H)2	O(CC[6a]CC)(CH3)	107.3200	0.000	1	107.3200	0.000	1	107.6845	0.266	2	109.3480	8.435	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:3:3:2:	4:4:	C[6a]-3:C-4:C-3:O-2:	C-4:C-3:C-3:O-2:	C-4:C-4:	C(C[6a]C[6a]2)(CCCO)(COO)(OC)	C(CC[6a]CO)(CCH)(COO)(OH)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CCCO)(COO)(OC)	C(CC[6a]CO)(CCH)(COO)(OH)	O(CC[6a]CC)(CC[6a]HH)	101.0590	0.000	1	101.0590	0.000	1	101.0590	0.000	1	101.0590	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CCO)(OH)	C(CC[6a]CO)(CCCH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CCO)(OH)	C(CC[6a]CO)(CCCH)(H)2	O(CC[6a]CC)(H)	111.2820	0.000	1	111.2820	0.000	1	111.3460	0.008	2	111.3460	0.008	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CHO)(OH)	C(CC[6a]CO)(CCHH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CHO)(OH)	C(CC[6a]CO)(CCHH)(H)2	O(CC[6a]CC)(H)	111.4100	0.000	1	111.4100	0.000	1	111.3460	0.008	2	111.3460	0.008	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:4:1:1:	4:4:	C[6]-3:C-4:O-3:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(C[6]C[6]N[6])(CCHH)(OCu2)(OC)	C(CC[6]CO)(CC[6]OO)(H)2	O(CC[6]CO)(CH3)	C(C[6]C[6]N[6])(CCHH)(OCu2)(OC)	C(CC[6]CO)(CC[6]OO)(H)2	O(CC[6]CO)(CH3)	106.4970	0.000	1	106.4970	0.000	1	106.4970	0.000	1	106.4970	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:4:2:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(CNO)(OH)	C(CC[6a]CO)(CH3)(OH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHO)(CNO)(OH)	C(CC[6a]CO)(CH3)(OH)(H)	O(CC[6a]CC)(H)	111.3290	0.000	1	111.3290	0.000	1	109.8783	7.063	3	109.8783	7.063	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:4:2:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	C(CC[6a]CO)(CH3)(OH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	C(CC[6a]CO)(CH3)(OH)(H)	O(CC[6a]CC)(H)	109.1530	3.312	2	109.1530	10.970	2	109.8783	7.063	3	109.8783	7.063	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:3:2:	4:4:3:1:	4:1:	C[6a]-3:C-4:C-3:O-2:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6]HN)(COO)(OH)	C(C[6]C[6]O[6]H)(CC[6a]CO)(NHS)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6]HN)(COO)(OH)	C(C[6]C[6]O[6]H)(CC[6a]CO)(NHS)(H)	O(CC[6a]CC)(H)	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:3:4:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	O(CC[6a]CC)(H)	108.3526	1.331	8	108.3526	1.773	8	108.2578	1.432	10	108.2578	1.432	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:3:4:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	O(CC[6a]CC)(H)	107.8785	0.347	2	107.8785	0.121	2	108.2578	1.432	10	108.2578	1.432	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6]-3:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2)(CC[6a]HH)(CF3)(OH)	C(C[6a]C[6a]2)(CC[6]CO)(H)2	O(CC[6]CC)(H)	C(C[6]C[6]2)(CC[6a]HH)(CF3)(OH)	C(C[6a]C[6a]2)(CC[6]CO)(H)2	O(CC[6]CC)(H)	106.6050	0.000	2	106.6050	0.000	2	106.6050	0.000	2	108.2757	4.222	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	110.5050	0.000	1	110.5050	0.000	1	107.4683	6.916	3	108.2757	4.222	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	105.9500	0.000	2	105.9500	0.000	2	107.4683	6.916	3	108.2757	4.222	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5]HH)(CH3)(OH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5]HH)(CH3)(OH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	110.1345	0.127	2	110.1345	0.016	2	109.8771	0.169	9	108.2757	4.222	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	109.7970	0.529	2	109.7970	0.280	2	109.8771	0.169	9	108.2757	4.222	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	109.7490	0.524	4	109.7490	0.274	4	109.8771	0.169	9	108.2757	4.222	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CN[5]HH)(OH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CN[5]HH)(OH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	110.0350	0.000	1	110.0350	0.000	1	109.8771	0.169	9	108.2757	4.222	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]HH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]HH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	108.6520	0.000	1	108.6520	0.000	1	107.8526	4.038	36	108.2757	4.222	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	107.7650	0.000	1	107.7650	0.000	1	107.8526	4.038	36	108.2757	4.222	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CC[3]CH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CC[3]CH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	106.3750	2.998	2	106.3750	8.989	2	107.8526	4.038	36	108.2757	4.222	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CHHN)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CHHN)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	107.3330	0.000	1	107.3330	0.000	1	107.8526	4.038	36	108.2757	4.222	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CN[5]HH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CN[5]HH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	108.6130	0.000	1	108.6130	0.000	1	107.8526	4.038	36	108.2757	4.222	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)2(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)2(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	O(CC[6a]CC)(H)	107.9193	2.087	30	107.9193	4.356	30	107.8526	4.038	36	108.2757	4.222	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:P-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(PO3)(OH)	C(C[6a]C[6a]2)(CC[6a]OP)(H)2	O(CC[6a]CP)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(PO3)(OH)	C(C[6a]C[6a]2)(CC[6a]OP)(H)2	O(CC[6a]CP)(H)	111.5680	0.245	2	111.5680	0.060	2	111.5680	0.060	2	108.2757	4.222	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:2:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	O(CC[6a]CC)(H)	109.8203	0.450	3	109.8203	0.203	3	108.8614	5.331	7	108.8614	5.331	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:2:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CC3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CC3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	O(CC[6a]CC)(H)	107.9930	0.000	1	107.9930	0.000	1	108.8614	5.331	7	108.8614	5.331	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:2:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	O(CC[6a]CC)(H)	110.2555	1.085	2	110.2555	1.178	2	108.8614	5.331	7	108.8614	5.331	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:2:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	O(CC[6a]CC)(H)	104.0650	0.000	1	104.0650	0.000	1	108.8614	5.331	7	108.8614	5.331	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:3:1:	4:1:	C[6]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(C[6]C[6]2)(CC[6a]CH)(CF3)(OH)	C(C[6a]C[6a]2)(CC[6]CO)(CCH)(H)	O(CC[6]CC)(H)	C(C[6]C[6]2)(CC[6a]CH)(CF3)(OH)	C(C[6a]C[6a]2)(CC[6]CO)(CCH)(H)	O(CC[6]CC)(H)	106.8420	0.000	1	106.8420	0.000	1	106.8420	0.000	1	108.7748	8.094	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:3:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CBrHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CBrHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	O(CC[6a]CC)(H)	105.3840	0.000	1	105.3840	0.000	1	108.9896	8.587	9	108.7748	8.094	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:3:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	O(CC[6a]CC)(H)	107.3700	0.000	1	107.3700	0.000	1	108.9896	8.587	9	108.7748	8.094	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:3:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCFF)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCFF)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	O(CC[6a]CC)(H)	111.1460	0.559	2	111.1460	0.312	2	108.9896	8.587	9	108.7748	8.094	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:3:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]O)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]O)(H)	O(CC[6a]CC)(H)	109.8713	3.358	3	109.8713	11.275	3	108.9896	8.587	9	108.7748	8.094	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:3:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	O(CC[6a]CC)(H)	111.0450	0.000	1	111.0450	0.000	1	108.9896	8.587	9	108.7748	8.094	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:3:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	O(CC[6a]CC)(H)	105.2010	0.000	1	105.2010	0.000	1	108.9896	8.587	9	108.7748	8.094	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:4:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CF)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]HH)(F)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CF)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]HH)(F)	O(CC[6a]CC)(H)	105.6850	1.160	2	105.6850	1.345	2	105.6850	1.345	2	108.6021	4.278	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:4:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	O(CC[6a]CC)(H)	109.5490	0.000	1	109.5490	0.000	1	110.0602	0.346	4	108.6021	4.278	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:4:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	O(CC[6a]CC)(H)	110.1160	0.000	1	110.1160	0.000	1	110.0602	0.346	4	108.6021	4.278	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:4:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	O(CC[6a]CC)(H)	109.7090	0.000	1	109.7090	0.000	1	110.0602	0.346	4	108.6021	4.278	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:4:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]HH)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]HH)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	O(CC[6a]CC)(H)	110.8670	0.000	1	110.8670	0.000	1	110.0602	0.346	4	108.6021	4.278	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:4:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]CH)(CH3)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(CH3)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	O(CC[6a]CC)(H)	108.6030	1.428	2	108.6030	2.040	2	108.6030	2.040	2	108.6021	4.278	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:4:1:	4:4:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	O(CC[6a]CC)(CC[6a]HH)	102.8725	0.472	2	102.8725	0.222	2	102.8725	0.222	2	102.8725	0.222	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:4:2:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	O(CC[6a]CC)(H)	105.8875	2.896	2	105.8875	8.385	2	106.5727	5.601	3	106.5727	5.601	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:4:2:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(OH)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(OH)	O(CC[6a]CC)(H)	107.9430	0.000	1	107.9430	0.000	1	106.5727	5.601	3	106.5727	5.601	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:4:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5]CC)(CH3)(OH)	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[5]CC)(CH3)(OH)	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	O(CC[6a]CC)(H)	107.4240	0.000	1	107.4240	0.000	1	107.4240	0.000	1	107.0463	0.110	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:4:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	O(CC[6a]CC)(H)	106.8040	0.000	1	106.8040	0.000	1	106.8575	0.006	2	107.0463	0.110	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	3:4:4:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CF3)(CH3)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CF3)(CH3)	O(CC[6a]CC)(H)	106.9110	0.000	1	106.9110	0.000	1	106.8575	0.006	2	107.0463	0.110	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CRuC)(CF3)2(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CRuC)(CF3)2(OH)	C(CCCO)(F)3	O(CC3)(H)	106.5793	1.539	6	106.5793	2.369	6	106.5793	2.369	6	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[5]C)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[5]C)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	106.2030	1.478	2	106.2030	2.184	2	107.8174	4.878	27	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[5]O)(CCHH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[5]O)(CCHH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	109.7385	0.835	2	109.7385	0.697	2	107.8174	4.878	27	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]C)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6a]C)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	107.4093	3.155	4	107.4093	9.955	4	107.8174	4.878	27	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]O)(CCCH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6a]O)(CCCH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	111.1450	0.000	1	111.1450	0.000	1	107.8174	4.878	27	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCuC)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCuC)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	108.6093	1.870	8	108.6093	3.499	8	107.8174	4.878	27	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CSeC)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CSeC)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	106.9530	1.908	10	106.9530	3.641	10	107.8174	4.878	27	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5])(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5,5]O[5])(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	111.6385	0.015	2	111.6385	0.000	2	109.9110	1.850	7	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	109.7710	0.000	1	109.7710	0.000	1	109.9110	1.850	7	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	109.4775	1.255	2	109.4775	1.575	2	109.9110	1.850	7	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]2)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	108.9710	0.000	1	108.9710	0.000	1	109.9110	1.850	7	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	108.4030	0.000	1	108.4030	0.000	1	109.9110	1.850	7	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[5a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(CFFH)(CF3)(OH)	C(CC[5a]CO)(F)3	O(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(CFFH)(CF3)(OH)	C(CC[5a]CO)(F)3	O(CC[5a]CC)(H)	104.8830	0.000	1	104.8830	0.000	1	104.8830	0.000	1	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[5a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:H-1:	C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(CFFH)(CF3)(OH)	C(CC[5a]CO)(F)2(H)	O(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(CFFH)(CF3)(OH)	C(CC[5a]CO)(F)2(H)	O(CC[5a]CC)(H)	106.3410	0.000	1	106.3410	0.000	1	106.8995	0.624	2	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[5a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:H-1:	C-4:H-1:	C(C[5a]C[5a]N[5a])(CCHH)(CFFH)(OH)	C(CC[5a]CO)(F)2(H)	O(CC[5a]CC)(H)	C(C[5a]C[5a]N[5a])(CCHH)(CFFH)(OH)	C(CC[5a]CO)(F)2(H)	O(CC[5a]CC)(H)	107.4580	0.000	1	107.4580	0.000	1	106.8995	0.624	2	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[5a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]N[5a])(CH3)2(OH)	C(CC[5a]CO)(H)3	O(CC[5a]CC)(H)	C(C[5a]C[5a]N[5a])(CH3)2(OH)	C(CC[5a]CO)(H)3	O(CC[5a]CC)(H)	107.8768	1.880	4	107.8768	3.534	4	108.4926	4.547	5	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[5a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	C(CC[5a]CO)(H)3	O(CC[5a]CC)(H)	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	C(CC[5a]CO)(H)3	O(CC[5a]CC)(H)	110.9560	0.000	1	110.9560	0.000	1	108.4926	4.547	5	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6]C[6]2)(CC[6a]CH)(CF3)(OH)	C(CC[6]CO)(F)3	O(CC[6]CC)(H)	C(C[6]C[6]2)(CC[6a]CH)(CF3)(OH)	C(CC[6]CO)(F)3	O(CC[6]CC)(H)	106.8920	0.000	1	106.8920	0.000	1	106.3107	0.253	3	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6]C[6]2)(CC[6a]HH)(CF3)(OH)	C(CC[6]CO)(F)3	O(CC[6]CC)(H)	C(C[6]C[6]2)(CC[6a]HH)(CF3)(OH)	C(CC[6]CO)(F)3	O(CC[6]CC)(H)	106.0200	0.000	2	106.0200	0.000	2	106.3107	0.253	3	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2)(CHHO)(CH3)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	C(C[6]C[6]2)(CHHO)(CH3)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	105.8630	0.000	1	105.8630	0.000	1	105.8630	0.000	1	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:Br-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CBrFF)(CHHN)(OH)	C(CC[6a]CO)(Br)(F)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CBrFF)(CHHN)(OH)	C(CC[6a]CO)(Br)(F)2	O(CC[6a]CC)(H)	103.4020	0.000	1	103.4020	0.000	1	103.4020	0.000	1	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:Br-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	C(CC[6a]CO)(Br)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	C(CC[6a]CO)(Br)(H)2	O(CC[6a]CC)(H)	109.9790	0.782	4	109.9790	0.611	4	109.9234	0.474	5	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:Br-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CBrHH)(OH)	C(CC[6a]CO)(Br)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CBrHH)(OH)	C(CC[6a]CO)(Br)(H)2	O(CC[6a]CC)(H)	109.7010	0.000	1	109.7010	0.000	1	109.9234	0.474	5	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:Cl-1:Cl-1:Cl-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CCl3)(OH)	C(CC[6a]CO)(Cl)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CCl3)(OH)	C(CC[6a]CO)(Cl)3	O(CC[6a]CC)(H)	106.6050	0.341	2	106.6050	0.116	2	106.6050	0.116	2	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:Cl-1:Cl-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCl2H)(CCHH)(OH)	C(CC[6a]CO)(Cl)2(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCl2H)(CCHH)(OH)	C(CC[6a]CO)(Cl)2(H)	O(CC[6a]CC)(H)	107.6270	0.000	1	107.6270	0.000	1	107.6270	0.000	1	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(CF3)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCCH)(CF3)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	105.4360	0.788	2	105.4360	0.620	2	106.9200	5.410	46	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCFF)(CF3)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCFF)(CF3)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	107.2420	0.000	1	107.2420	0.000	1	106.9200	5.410	46	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	105.8706	1.698	7	105.8706	2.882	7	106.9200	5.410	46	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	106.6495	0.432	2	106.6495	0.187	2	106.9200	5.410	46	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CF3)2(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CF3)2(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	107.5376	2.482	30	107.5376	6.159	30	106.9200	5.410	46	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	104.7187	1.795	3	104.7187	3.222	3	106.9200	5.410	46	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(CF3)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHO)(CF3)(OH)	C(CC[6a]CO)(F)3	O(CC[6a]CC)(H)	105.5270	0.000	1	105.5270	0.000	1	106.9200	5.410	46	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CFHH)(OH)	C(CC[6a]CO)(F)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CFHH)(OH)	C(CC[6a]CO)(F)(H)2	O(CC[6a]CC)(H)	107.3015	1.121	2	107.3015	1.256	2	107.3015	1.256	2	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[4,6a]C[5,6a])(CH3)2(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[4,6a]C[5,6a])(CH3)2(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	107.1430	3.982	2	107.1430	15.860	2	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	107.9567	0.441	4	107.9567	0.195	4	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	105.2880	0.000	1	105.2880	0.000	1	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCFF)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCFF)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	105.6940	0.000	1	105.6940	0.000	1	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCFH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCFH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	106.9060	2.068	2	106.9060	4.275	2	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	106.1399	1.434	9	106.1399	2.058	9	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	109.7835	1.040	2	109.7835	1.082	2	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	105.1453	0.372	3	105.1453	0.139	3	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[5]CC)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[5]CC)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	103.7030	0.000	1	103.7030	0.000	1	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	107.1700	0.025	2	107.1700	0.001	2	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	108.2983	2.309	3	108.2983	5.330	3	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	110.8330	0.000	1	110.8330	0.000	1	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CFFS)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CFFS)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	110.3690	0.000	1	110.3690	0.000	1	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)2(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CH3)2(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	107.1605	1.579	51	107.1605	2.494	51	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHN)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	109.3500	0.000	1	109.3500	0.000	1	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHS)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHS)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	105.9395	1.408	2	105.9395	1.982	2	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHSS)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHSS)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	109.4720	0.000	1	109.4720	0.000	1	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5]CH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5]CH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	109.7190	0.000	1	109.7190	0.000	1	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5]HH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5]HH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	109.9110	0.147	2	109.9110	0.022	2	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]CH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	108.0560	3.005	2	108.0560	9.031	2	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CRuCC)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CRuCC)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	110.7070	0.772	2	110.7070	0.596	2	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	108.2236	2.089	12	108.2236	4.364	12	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CH3)2(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(CH3)2(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	106.6755	3.224	2	106.6755	10.392	2	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	108.5610	0.000	1	108.5610	0.000	1	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]O[6a])(CH3)2(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	C(C[6a]C[6a]O[6a])(CH3)2(OH)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(H)	106.9980	4.329	2	106.9980	18.739	2	107.4131	3.786	111	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(PO3)(OH)	C(CC[6a]OP)(H)3	O(CC[6a]CP)(H)	C(C[6a]C[6a]2)(CH3)(PO3)(OH)	C(CC[6a]OP)(H)3	O(CC[6a]CP)(H)	110.9755	0.316	2	110.9755	0.100	2	110.9755	0.100	2	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C[6]-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	C(CC[6a]C[6]O)(H)3	O(CC[6a]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	C(CC[6a]C[6]O)(H)3	O(CC[6a]C[6]C)(H)	107.6450	0.000	1	107.6450	0.000	1	107.6450	0.000	1	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:P-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)	C(CC[6a]OP)(H)3	O(CC[6a]CP)(H)	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)	C(CC[6a]OP)(H)3	O(CC[6a]CP)(H)	104.2470	0.000	1	104.2470	0.000	1	104.2470	0.000	1	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:P[6]-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CH3)(OH)	C(CC[6a]P[6]O)(H)3	O(CC[6a]P[6]C)(H)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CH3)(OH)	C(CC[6a]P[6]O)(H)3	O(CC[6a]P[6]C)(H)	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	107.4718	4.544	225	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:2:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(C[6a]C[6a]2)(CH3)2(OO)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(OC)	C(C[6a]C[6a]2)(CH3)2(OO)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(OC)	105.8272	4.333	6	105.8272	18.778	6	105.7664	19.385	8	105.7664	19.385	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:2:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(C[6a]C[6a]2)(CH3)2(OO)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(OC[5])	C(C[6a]C[6a]2)(CH3)2(OO)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(OC[5])	105.5840	6.459	2	105.5840	41.715	2	105.7664	19.385	8	105.7664	19.385	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:3:	C[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:P-3:	C(C[5]N[5]O[5])(CH3)2(OP)	C(CC[5]CO)(H)3	O(CC[5]CC)(PC[6a]O)	C(C[5]N[5]O[5])(CH3)2(OP)	C(CC[5]CO)(H)3	O(CC[5]CC)(PC[6a]O)	107.7717	3.790	4	107.7717	14.365	4	107.7717	14.365	4	107.7717	14.365	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:4:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Ge-4:C-4:	C(CSiC)(CH3)2(OGe)	C(CCCO)(H)3	O(GeC[6a]2W)(CC3)	C(CSiC)(CH3)2(OGe)	C(CCCO)(H)3	O(GeC[6a]2W)(CC3)	107.1040	0.929	2	107.1040	0.863	2	107.1040	0.863	2	107.2209	11.723	49	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:4:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CSiC)(CH3)2(OSi)	C(CCCO)(H)3	O(SiC[6a]2W)(CC3)	C(CSiC)(CH3)2(OSi)	C(CCCO)(H)3	O(SiC[6a]2W)(CC3)	107.0205	0.906	2	107.0205	0.820	2	107.0205	0.820	2	107.2209	11.723	49	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:4:	C[4]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:Si-4:	C(C[4]C[4]2)(CH3)2(OSi)	C(CC[4]CO)(H)3	O(CC[4]CC)(SiCCO)	C(C[4]C[4]2)(CH3)2(OSi)	C(CC[4]CO)(H)3	O(CC[4]CC)(SiCCO)	106.4848	2.677	8	106.4848	7.165	8	106.4848	7.165	8	107.2209	11.723	49	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:4:	C[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(C[5]N[5]O[5])(CH3)2(OP)	C(CC[5]CO)(H)3	O(PC[6a]2Co)(CC[5]CC)	C(C[5]N[5]O[5])(CH3)2(OP)	C(CC[5]CO)(H)3	O(PC[6a]2Co)(CC[5]CC)	107.5340	4.879	2	107.5340	23.805	2	107.7505	13.372	20	107.2209	11.723	49	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:4:	C[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(C[5]N[5]O[5])(CH3)2(OP)	C(CC[5]CO)(H)3	O(PC[6a]2Ni)(CC[5]CC)	C(C[5]N[5]O[5])(CH3)2(OP)	C(CC[5]CO)(H)3	O(PC[6a]2Ni)(CC[5]CC)	107.2755	5.363	2	107.2755	28.766	2	107.7505	13.372	20	107.2209	11.723	49	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:4:	C[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(C[5]N[5]O[5])(CH3)2(OP)	C(CC[5]CO)(H)3	O(PC[6a]2Pd)(CC[5]CC)	C(C[5]N[5]O[5])(CH3)2(OP)	C(CC[5]CO)(H)3	O(PC[6a]2Pd)(CC[5]CC)	107.5840	4.092	4	107.5840	16.748	4	107.7505	13.372	20	107.2209	11.723	49	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:4:	C[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(C[5]N[5]O[5])(CH3)2(OP)	C(CC[5]CO)(H)3	O(PC[6a]NiO)(CC[5]CC)	C(C[5]N[5]O[5])(CH3)2(OP)	C(CC[5]CO)(H)3	O(PC[6a]NiO)(CC[5]CC)	106.6672	3.051	4	106.6672	9.307	4	107.7505	13.372	20	107.2209	11.723	49	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:4:	C[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(C[5]N[5]O[5])(CH3)2(OP)	C(CC[5]CO)(H)3	O(PC[6a]PdO)(CC[5]CC)	C(C[5]N[5]O[5])(CH3)2(OP)	C(CC[5]CO)(H)3	O(PC[6a]PdO)(CC[5]CC)	108.5482	4.016	8	108.5482	16.127	8	107.7505	13.372	20	107.2209	11.723	49	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:4:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(C[6]C[6]N[6])(CH3)2(OP)	C(CC[6]CO)(H)3	O(PC[6a]2Ni)(CC[6]CC)	C(C[6]C[6]N[6])(CH3)2(OP)	C(CC[6]CO)(H)3	O(PC[6a]2Ni)(CC[6]CC)	105.9175	3.855	4	105.9175	14.864	4	106.1237	20.577	10	107.2209	11.723	49	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:4:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(C[6]C[6]N[6])(CH3)2(OP)	C(CC[6]CO)(H)3	O(PC[6a]2Pd)(CC[6]CC)	C(C[6]C[6]N[6])(CH3)2(OP)	C(CC[6]CO)(H)3	O(PC[6a]2Pd)(CC[6]CC)	106.2612	5.297	6	106.2612	28.063	6	106.1237	20.577	10	107.2209	11.723	49	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:4:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CH3)	110.5740	0.000	2	110.5740	0.000	2	108.6114	9.013	5	107.2209	11.723	49	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:4:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCCO)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CCCO)(CH3)(OC)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(CH3)	110.3250	0.000	1	110.3250	0.000	1	108.6114	9.013	5	107.2209	11.723	49	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:4:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CH3)2(OC)	C(CC[6a]CO)(H)3	O(CC[5a]CH)(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(OC)	C(CC[6a]CO)(H)3	O(CC[5a]CH)(CC[6a]CC)	105.7920	3.084	2	105.7920	9.514	2	108.6114	9.013	5	107.2209	11.723	49	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:1:1:1:	4:4:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:Si-4:	C(C[6a]C[6a]2)(CH3)2(OSi)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(SiNNO)	C(C[6a]C[6a]2)(CH3)2(OSi)	C(CC[6a]CO)(H)3	O(CC[6a]CC)(SiNNO)	107.1965	1.945	2	107.1965	3.784	2	107.1965	3.784	2	107.2209	11.723	49	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:2:1:1:	4:1:	C[6]-3:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2)(CHHO)(CH3)(OH)	C(CC[6]CO)(OH)(H)2	O(CC[6]CC)(H)	C(C[6]C[6]2)(CHHO)(CH3)(OH)	C(CC[6]CO)(OH)(H)2	O(CC[6]CC)(H)	109.1000	0.000	1	109.1000	0.000	1	109.1000	0.000	1	107.6108	8.607	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:2:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-2:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CC[6a]CO)(CC)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CC[6a]CO)(CC)(H)2	O(CC[6a]CC)(H)	107.9680	0.000	1	107.9680	0.000	1	107.9680	0.000	1	107.6108	8.607	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:2:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-2:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(OH)	C(CC[6a]CO)(NN)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CHHN)(OH)	C(CC[6a]CO)(NN)(H)2	O(CC[6a]CC)(H)	104.5570	0.000	1	104.5570	0.000	1	104.5570	0.000	1	107.6108	8.607	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:2:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	C(CC[6a]CO)(OH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	C(CC[6a]CO)(OH)(H)2	O(CC[6a]CC)(H)	106.2428	2.393	4	106.2428	5.725	4	108.0480	6.574	8	107.6108	8.607	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:2:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	C(CC[6a]CO)(OC)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	C(CC[6a]CO)(OC)(H)2	O(CC[6a]CC)(H)	109.4325	0.572	2	109.4325	0.327	2	108.0480	6.574	8	107.6108	8.607	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:2:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OH)	C(CC[6a]CO)(OH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OH)	C(CC[6a]CO)(OH)(H)2	O(CC[6a]CC)(H)	109.3430	0.000	1	109.3430	0.000	1	108.0480	6.574	8	107.6108	8.607	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:2:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(CF3)(OH)	C(CC[6a]CO)(ON)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHO)(CF3)(OH)	C(CC[6a]CO)(ON)(H)2	O(CC[6a]CC)(H)	111.2050	0.000	1	111.2050	0.000	1	108.0480	6.574	8	107.6108	8.607	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:2:1:1:	4:1:	C[6a]-3:C-4:P-4:O-2:	C-4:N-2:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(PO3)(OH)	C(CC[6a]OP)(NN)(H)2	O(CC[6a]CP)(H)	C(C[6a]C[6a]2)(CHHN)(PO3)(OH)	C(CC[6a]OP)(NN)(H)2	O(CC[6a]CP)(H)	106.4660	6.438	2	106.4660	41.441	2	106.4660	41.441	2	107.6108	8.607	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:2:1:1:	4:4:	C[6a]-3:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	C(CC[6a]CO)(OH)(H)2	O(CC[6a]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	C(CC[6a]CO)(OH)(H)2	O(CC[6a]CC)(CC[6a]HH)	109.6480	0.231	2	109.6480	0.053	2	109.6480	0.053	2	109.6480	0.053	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:2:2:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:S-2:S-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHSS)(CH3)(OH)	C(CC[6a]CO)(SC[6a])(SC[6])(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHSS)(CH3)(OH)	C(CC[6a]CO)(SC[6a])(SC[6])(H)	O(CC[6a]CC)(H)	104.7520	0.000	1	104.7520	0.000	1	104.7520	0.000	1	104.7520	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CC[5]O)(CCCH)(CCHH)(OH)	C(CCCO)(CCH)(H)2	O(CC3)(H)	C(CC[5]O)(CCCH)(CCHH)(OH)	C(CCCO)(CCH)(H)2	O(CC3)(H)	105.3480	0.000	1	105.3480	0.000	1	105.3480	0.000	1	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[5]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	C(CC[5]CO)(CCO)(H)2	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	C(CC[5]CO)(CCO)(H)2	O(CC[5]CC)(H)	104.3710	0.000	1	104.3710	0.000	1	104.3710	0.000	1	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[5a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[5a]C[5a]N[5a])(CCHH)(CFFH)(OH)	C(CC[5a]CO)(CCH)(H)2	O(CC[5a]CC)(H)	C(C[5a]C[5a]N[5a])(CCHH)(CFFH)(OH)	C(CC[5a]CO)(CCH)(H)2	O(CC[5a]CC)(H)	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[5a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	C(CC[5a]CO)(NC[6a]C)(H)2	O(CC[5a]CC)(H)	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	C(CC[5a]CO)(NC[6a]C)(H)2	O(CC[5a]CC)(H)	111.1300	0.000	1	111.1300	0.000	1	111.1300	0.000	1	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CC[6a]CO)(CNO)(F)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CC[6a]CO)(CNO)(F)2	O(CC[6a]CC)(H)	107.5390	0.000	1	107.5390	0.000	1	106.6710	1.920	4	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CC[6a]CO)(COO)(F)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CC[6a]CO)(COO)(F)2	O(CC[6a]CC)(H)	105.5070	0.406	2	105.5070	0.165	2	106.6710	1.920	4	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCFF)(CH3)(OH)	C(CC[6a]CO)(CNO)(F)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCFF)(CH3)(OH)	C(CC[6a]CO)(CNO)(F)2	O(CC[6a]CC)(H)	108.1310	0.000	1	108.1310	0.000	1	106.6710	1.920	4	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:F-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCFH)(CH3)(OH)	C(CC[6a]CO)(CNO)(F)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCFH)(CH3)(OH)	C(CC[6a]CO)(CNO)(F)(H)	O(CC[6a]CC)(H)	107.7580	0.368	2	107.7580	0.135	2	107.7580	0.135	2	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	C(CC[6a]CO)(CCH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	C(CC[6a]CO)(CCH)(H)2	O(CC[6a]CC)(H)	103.8520	1.028	2	103.8520	1.057	2	109.7141	7.562	17	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CCl3)(OH)	C(CC[6a]CO)(CCO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CCl3)(OH)	C(CC[6a]CO)(CCO)(H)2	O(CC[6a]CC)(H)	111.9350	0.044	2	111.9350	0.002	2	109.7141	7.562	17	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CCH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CCH)(H)2	O(CC[6a]CC)(H)	108.2950	3.178	2	108.2950	10.098	2	109.7141	7.562	17	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CCO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CCO)(H)2	O(CC[6a]CC)(H)	111.2710	1.005	3	111.2710	1.011	3	109.7141	7.562	17	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CC[6a]C)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CC[6a]C)(H)2	O(CC[6a]CC)(H)	112.0320	0.000	1	112.0320	0.000	1	109.7141	7.562	17	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CC[6a]N)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CC[6a]N)(H)2	O(CC[6a]CC)(H)	111.6280	0.000	1	111.6280	0.000	1	109.7141	7.562	17	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(OH)	C(CC[6a]CO)(COO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CHHN)(OH)	C(CC[6a]CO)(COO)(H)2	O(CC[6a]CC)(H)	110.1500	0.000	1	110.1500	0.000	1	109.7141	7.562	17	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CF)(CCHH)(OH)	C(CC[6a]CO)(CCH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CF)(CCHH)(OH)	C(CC[6a]CO)(CCH)(H)2	O(CC[6a]CC)(H)	108.2855	0.047	2	108.2855	0.002	2	109.7141	7.562	17	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(OH)	C(CC[6a]CO)(CN[5]O)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(OH)	C(CC[6a]CO)(CN[5]O)(H)2	O(CC[6a]CC)(H)	110.7490	0.000	2	110.7490	0.000	2	109.7141	7.562	17	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCl2H)(CCHH)(OH)	C(CC[6a]CO)(CCH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCl2H)(CCHH)(OH)	C(CC[6a]CO)(CCH)(H)2	O(CC[6a]CC)(H)	111.2840	0.000	1	111.2840	0.000	1	109.7141	7.562	17	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	C(CC[6a]CO)(NHS)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	C(CC[6a]CO)(NHS)(H)2	O(CC[6a]CC)(H)	108.1500	0.000	1	108.1500	0.000	1	108.7256	1.714	9	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	C(CC[6a]CO)(NCH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	C(CC[6a]CO)(NCH)(H)2	O(CC[6a]CC)(H)	110.1680	0.165	2	110.1680	0.027	2	108.7256	1.714	9	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	C(CC[6a]CO)(NHH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	C(CC[6a]CO)(NHH)(H)2	O(CC[6a]CC)(H)	110.0500	0.000	1	110.0500	0.000	1	108.7256	1.714	9	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(CH3)(OH)	C(CC[6a]CO)(NCH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHN)(CH3)(OH)	C(CC[6a]CO)(NCH)(H)2	O(CC[6a]CC)(H)	108.5340	0.000	1	108.5340	0.000	1	108.7256	1.714	9	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHN)2(OH)	C(CC[6a]CO)(NCC)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHN)2(OH)	C(CC[6a]CO)(NCC)(H)2	O(CC[6a]CC)(H)	108.4070	1.789	2	108.4070	3.200	2	108.7256	1.714	9	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CHHN)(OH)	C(CC[6a]CO)(NCC)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CHHN)(OH)	C(CC[6a]CO)(NCC)(H)2	O(CC[6a]CC)(H)	107.1470	0.000	1	107.1470	0.000	1	108.7256	1.714	9	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	C(CC[6a]CO)(NCH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	C(CC[6a]CO)(NCH)(H)2	O(CC[6a]CC)(H)	107.4990	0.000	1	107.4990	0.000	1	108.7256	1.714	9	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:P-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(PC[6a]OO)(CCHH)(OH)	C(CC[6a]OP)(CCO)(H)2	O(CC[6a]CP)(H)	C(C[6a]C[6a]2)(PC[6a]OO)(CCHH)(OH)	C(CC[6a]OP)(CCO)(H)2	O(CC[6a]CP)(H)	112.2850	0.000	2	112.2850	0.000	2	112.2850	0.000	2	108.9120	6.432	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:2:1:	4:1:	C[6a]-3:C[5]-4:C-4:O-2:	C-4:C[6a]-3:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]HO)(OH)	C(CC[6a]C[5]O)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]C)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]HO)(OH)	C(CC[6a]C[5]O)(C[6a]C[6a]2)(OC)(H)	O(CC[6a]C[5]C)(H)	108.0215	0.260	2	108.0215	0.067	2	108.0215	0.067	2	108.0215	0.067	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:3:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	C(CC[6a]CO)(CCH)(COO)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	C(CC[6a]CO)(CCH)(COO)(H)	O(CC[6a]CC)(H)	110.1390	0.158	2	110.1390	0.025	2	109.7247	0.528	3	109.8145	0.384	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:3:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	C(CC[6a]CO)(CCH)(COO)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	C(CC[6a]CO)(CCH)(COO)(H)	O(CC[6a]CC)(H)	108.8960	0.000	1	108.8960	0.000	1	109.7247	0.528	3	109.8145	0.384	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:3:3:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C(CC[6a]CO)(COO)(NHH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C(CC[6a]CO)(COO)(NHH)(H)	O(CC[6a]CC)(H)	110.0840	0.000	1	110.0840	0.000	1	110.0840	0.000	1	109.8145	0.384	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]O)(CCHH)(CH3)(OH)	C(CCCH)(CCCO)(H)2	O(CC3)(H)	C(CC[5]O)(CCHH)(CH3)(OH)	C(CCCH)(CCCO)(H)2	O(CC3)(H)	108.5695	0.346	2	108.5695	0.120	2	108.5695	0.120	2	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[5]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]2)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	O(CC[5]CC)(H)	104.7980	0.000	1	104.7980	0.000	1	104.7980	0.000	1	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	C(C[5]C[5]O[5]H)(CC[5]CO)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	C(C[5]C[5]O[5]H)(CC[5]CO)(H)2	O(CC[5]CC)(H)	104.6620	0.000	1	104.6620	0.000	1	104.6620	0.000	1	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCFF)(CF3)(OH)	C(CC[6a]CO)(CC[6a]HO)(F)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCFF)(CF3)(OH)	C(CC[6a]CO)(CC[6a]HO)(F)2	O(CC[6a]CC)(H)	108.9060	0.000	1	108.9060	0.000	1	107.7340	1.124	3	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCFF)(OH)	C(CC[6a]CO)(CCFF)(F)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCFF)(OH)	C(CC[6a]CO)(CCFF)(F)2	O(CC[6a]CC)(H)	107.1480	0.433	2	107.1480	0.187	2	107.7340	1.124	3	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	C(CC[6a]CO)(CHHN)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	C(CC[6a]CO)(CHHN)(H)2	O(CC[6a]CC)(H)	107.2807	0.826	8	107.2807	0.682	8	108.7497	2.255	46	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CC[6a]CO)(CCHH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CC[6a]CO)(CCHH)(H)2	O(CC[6a]CC)(H)	111.1450	0.000	1	111.1450	0.000	1	108.7497	2.255	46	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CC[6a]CO)(CH3)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CC[6a]CO)(CH3)(H)2	O(CC[6a]CC)(H)	108.7455	3.324	2	108.7455	11.050	2	108.7497	2.255	46	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CFHH)(OH)	C(CC[6a]CO)(CHHO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CFHH)(OH)	C(CC[6a]CO)(CHHO)(H)2	O(CC[6a]CC)(H)	110.3650	0.762	2	110.3650	0.581	2	108.7497	2.255	46	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C(CC[6a]CO)(CH3)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C(CC[6a]CO)(CH3)(H)2	O(CC[6a]CC)(H)	109.9290	0.000	1	109.9290	0.000	1	108.7497	2.255	46	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C(CC[6a]CO)2(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C(CC[6a]CO)2(H)2	O(CC[6a]CC)(H)	108.8776	0.995	8	108.8776	0.990	8	108.7497	2.255	46	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CC[6a]CO)(CCHO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CC[6a]CO)(CCHO)(H)2	O(CC[6a]CC)(H)	109.5450	0.000	1	109.5450	0.000	1	108.7497	2.255	46	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CC[6a]CO)(CC[6a]HN)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CC[6a]CO)(CC[6a]HN)(H)2	O(CC[6a]CC)(H)	110.6480	0.000	1	110.6480	0.000	1	108.7497	2.255	46	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CC[6a]CO)(CH3)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CC[6a]CO)(CH3)(H)2	O(CC[6a]CC)(H)	109.6850	0.000	1	109.6850	0.000	1	108.7497	2.255	46	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	C(CC[6a]CO)(CCHH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	C(CC[6a]CO)(CCHH)(H)2	O(CC[6a]CC)(H)	109.2650	0.417	2	109.2650	0.174	2	108.7497	2.255	46	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(OH)	C(CC[6a]CO)(CCHH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(OH)	C(CC[6a]CO)(CCHH)(H)2	O(CC[6a]CC)(H)	109.7290	0.000	1	109.7290	0.000	1	108.7497	2.255	46	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(CC[6a]CO)(CC[6]CO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(CC[6a]CO)(CC[6]CO)(H)2	O(CC[6a]CC)(H)	109.8715	0.004	2	109.8715	0.000	2	108.7497	2.255	46	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(CC[6a]CO)2(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(CC[6a]CO)2(H)2	O(CC[6a]CC)(H)	108.5472	1.766	10	108.5472	3.120	10	108.7497	2.255	46	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CCHH)2(OH)	C(CC[6a]CO)2(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]N[6a])(CCHH)2(OH)	C(CC[6a]CO)2(H)2	O(CC[6a]CC)(H)	108.4288	1.415	6	108.4288	2.003	6	108.7497	2.255	46	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CBrFF)(CHHN)(OH)	C(CC[6a]CO)(NCHH)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CBrFF)(CHHN)(OH)	C(CC[6a]CO)(NCHH)(H)2	O(CC[6a]CC)(H)	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:S-4:F-1:F-1:	C-4:H-1:	C(C[6a]C[6a]2)(CFFS)(CH3)(OH)	C(CC[6a]CO)(SC[6a]NO)(F)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CFFS)(CH3)(OH)	C(CC[6a]CO)(SC[6a]NO)(F)2	O(CC[6a]CC)(H)	106.4040	0.000	1	106.4040	0.000	1	106.4040	0.000	1	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:S-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CHHS)(CH3)(OH)	C(CC[6a]CO)(SC[6a]OO)(H)2	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CHHS)(CH3)(OH)	C(CC[6a]CO)(SC[6a]OO)(H)2	O(CC[6a]CC)(H)	109.0755	0.552	2	109.0755	0.305	2	109.0755	0.305	2	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	C(CC[6a]C[6]O)(CN[6]HH)(H)2	O(CC[6a]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	C(CC[6a]C[6]O)(CN[6]HH)(H)2	O(CC[6a]C[6]C)(H)	109.0000	0.000	1	109.0000	0.000	1	109.0000	0.000	1	108.5574	2.567	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:1:1:	4:4:	C[6a]-3:C-4:Si-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(SiC3)(OC)	C(CC[6a]SiO)(CCHO)(H)2	O(CC[6a]SiC)(CH3)	C(C[6a]C[6a]2)(CCHH)(SiC3)(OC)	C(CC[6a]SiO)(CCHO)(H)2	O(CC[6a]SiC)(CH3)	111.1410	0.000	1	111.1410	0.000	1	111.1410	0.000	1	111.1410	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:2:1:	4:1:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	O(CC[5]CC)(H)	109.4095	1.708	2	109.4095	2.916	2	109.4095	2.916	2	108.9285	2.721	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:2:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	O(CC[6a]CC)(H)	109.5760	0.517	3	109.5760	0.267	3	109.5760	0.267	3	108.9285	2.721	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:2:1:	4:1:	C[6a]-3:C[4]-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(C[4]C[4]2H)(CCHO)(OH)	C(CC[6a]C[4]O)(CHHN)(OH)(H)	O(CC[6a]C[4]C)(H)	C(C[6a]C[6a]2)(C[4]C[4]2H)(CCHO)(OH)	C(CC[6a]C[4]O)(CHHN)(OH)(H)	O(CC[6a]C[4]C)(H)	106.0240	0.000	1	106.0240	0.000	1	106.0240	0.000	1	108.9285	2.721	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(CF3)(OH)	C(CC[6a]CO)(CH3)(CNO)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCCH)(CF3)(OH)	C(CC[6a]CO)(CH3)(CNO)(H)	O(CC[6a]CC)(H)	110.4515	0.797	2	110.4515	0.635	2	109.6295	1.113	4	108.3670	12.071	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(OH)	C(CC[6a]CO)(CC[6a]HO)(CCH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(OH)	C(CC[6a]CO)(CC[6a]HO)(CCH)(H)	O(CC[6a]CC)(H)	108.8120	0.000	1	108.8120	0.000	1	109.6295	1.113	4	108.3670	12.071	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	C(CC[6a]CO)(CH3)(CCH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	C(CC[6a]CO)(CH3)(CCH)(H)	O(CC[6a]CC)(H)	108.8030	0.000	1	108.8030	0.000	1	109.6295	1.113	4	108.3670	12.071	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C(CC[6a]CO)(CH3)(NOO)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C(CC[6a]CO)(CH3)(NOO)(H)	O(CC[6a]CC)(H)	112.6170	0.000	1	112.6170	0.000	1	106.6837	27.107	3	108.3670	12.071	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	C(CC[6a]CO)(CH3)(NCH)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	C(CC[6a]CO)(CH3)(NCH)(H)	O(CC[6a]CC)(H)	103.7170	1.187	2	103.7170	1.408	2	106.6837	27.107	3	108.3670	12.071	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:3:1:	4:4:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CC[6a]CO)(CH3)(CHN)(H)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CC[6a]CO)(CH3)(CHN)(H)	O(CC[6a]CC)(CH3)	102.5860	0.000	2	102.5860	0.000	2	102.5860	0.000	2	102.5860	0.000	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:3:2:	4:4:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-3:O-2:	C-4:C-4:	C(C[6a]C[6a]2)(CCCO)(CH3)(OC)	C(CC[6a]CO)(CCHH)(CCH)(OC)	O(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CCCO)(CH3)(OC)	C(CC[6a]CO)(CCHH)(CCH)(OC)	O(CC[6a]CC)(CH3)	104.3490	0.000	1	104.3490	0.000	1	104.3490	0.000	1	104.3490	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:4:1:	4:1:	C-3:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]O)(CCCH)(CCHH)(OH)	C(CCCO)(CH3)2(H)	O(CC3)(H)	C(CC[5]O)(CCCH)(CCHH)(OH)	C(CCCO)(CH3)2(H)	O(CC3)(H)	109.9600	0.000	1	109.9600	0.000	1	107.8395	8.993	2	106.8270	3.779	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:4:1:	4:1:	C-3:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]O)(CCCH)(CH3)(OH)	C(CC[6a]HO)(CCCO)(CH3)(H)	O(CC3)(H)	C(CC[6a]O)(CCCH)(CH3)(OH)	C(CC[6a]HO)(CCCO)(CH3)(H)	O(CC3)(H)	105.7190	0.000	1	105.7190	0.000	1	107.8395	8.993	2	106.8270	3.779	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:4:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CCCH)2(OH)	C(CC[6a]CO)(CH3)2(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCCH)2(OH)	C(CC[6a]CO)(CH3)2(H)	O(CC[6a]CC)(H)	106.0067	0.691	4	106.0067	0.478	4	106.3570	1.140	7	106.8270	3.779	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:4:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	C(CC[6a]CO)(CCHH)(CHHN)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	C(CC[6a]CO)(CCHH)(CHHN)(H)	O(CC[6a]CC)(H)	107.6410	0.506	2	107.6410	0.256	2	106.3570	1.140	7	106.8270	3.779	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:4:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(OH)	C(CC[6a]CO)(CH3)2(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(OH)	C(CC[6a]CO)(CH3)2(H)	O(CC[6a]CC)(H)	105.1900	0.000	1	105.1900	0.000	1	106.3570	1.140	7	106.8270	3.779	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:4:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CC[3]CH)(OH)	C(C[3]C[3]2H)(CC[6a]CO)(CH3)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CC[3]CH)(OH)	C(C[3]C[3]2H)(CC[6a]CO)(CH3)(H)	O(CC[6a]CC)(H)	108.1890	4.038	2	108.1890	16.302	2	108.1890	16.302	2	106.8270	3.779	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:4:1:	4:1:	C[6a]-3:C-4:C-4:O-2:	N[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(CN[5]CH)(CH3)(OH)	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CN[5]CH)(CH3)(OH)	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	O(CC[6a]CC)(H)	105.3680	0.000	1	105.3680	0.000	1	105.3680	0.000	1	106.8270	3.779	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:4:3:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC[6a]CO)(CCHH)(CH3)(CCH)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC[6a]CO)(CCHH)(CH3)(CCH)	O(CC[6a]CC)(H)	104.2655	0.701	2	104.2655	0.491	2	105.4870	2.854	5	105.4870	2.854	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:4:3:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC[6a]CO)(CCHH)2(CCH)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC[6a]CO)(CCHH)2(CCH)	O(CC[6a]CC)(H)	106.2340	0.000	1	106.2340	0.000	1	105.4870	2.854	5	105.4870	2.854	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:4:3:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC[6a]CO)(CH3)2(CCH)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC[6a]CO)(CH3)2(CCH)	O(CC[6a]CC)(H)	104.6110	0.000	1	104.6110	0.000	1	105.4870	2.854	5	105.4870	2.854	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:4:3:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CC3)(OH)	C(CC[6a]CO)(CH3)2(CCH)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CC3)(OH)	C(CC[6a]CO)(CH3)2(CCH)	O(CC[6a]CC)(H)	108.0590	0.000	1	108.0590	0.000	1	105.4870	2.854	5	105.4870	2.854	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:4:4:	4:1:	C[5a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(C[5a]C[5a]S[5a])(CC3)2(OH)	C(CC[5a]CO)(CH3)3	O(CC[5a]CC)(H)	C(C[5a]C[5a]S[5a])(CC3)2(OH)	C(CC[5a]CO)(CH3)3	O(CC[5a]CC)(H)	104.3810	2.611	2	104.3810	6.815	2	104.3810	6.815	2	106.0150	6.676	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	3:4:4:2:	4:4:4:4:	4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	O(CC[6a]CC)(H)	107.6490	1.591	2	107.6490	2.531	2	107.6490	2.531	2	106.0150	6.676	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-2:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[5a])(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[5a])(CHHO)(H)2	O(CCHH)(H)	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1	111.1256	3.498	43	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NC[5])(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NC[5])(CHHO)(H)2	O(CCHH)(H)	111.4210	1.874	2	111.4210	3.511	2	111.4210	3.511	2	111.1256	3.498	43	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:	C(CHHO)(OH)(H)2	C(OC[5])(CHHO)(H)2	O(CCHH)(H)	C(CHHO)(OH)(H)2	C(OC[5])(CHHO)(H)2	O(CCHH)(H)	112.7170	1.305	2	112.7170	1.704	2	111.3425	3.765	34	111.1256	3.498	43	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:	C(CHHO)(OH)(H)2	C(OC[6])(CHHO)(H)2	O(CCHH)(H)	C(CHHO)(OH)(H)2	C(OC[6])(CHHO)(H)2	O(CCHH)(H)	111.6019	2.683	7	111.6019	7.198	7	111.3425	3.765	34	111.1256	3.498	43	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:	C(CHHO)(OH)(H)2	C(OC[6a])(CHHO)(H)2	O(CCHH)(H)	C(CHHO)(OH)(H)2	C(OC[6a])(CHHO)(H)2	O(CCHH)(H)	111.1600	1.759	25	111.1600	3.094	25	111.3425	3.765	34	111.1256	3.498	43	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:H-1:	C(CHHS)(OH)(H)2	C(SC[5])(CHHO)(H)2	O(CCHH)(H)	C(CHHS)(OH)(H)2	C(SC[5])(CHHO)(H)2	O(CCHH)(H)	110.0282	1.286	6	110.0282	1.655	6	110.0282	1.655	6	111.1256	3.498	43	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:2:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-2:	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CCHH)(CC)	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CCHH)(CC)	110.2340	0.000	1	110.2340	0.000	1	110.2340	0.000	1	110.2340	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NC[5])(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NC[5])(CHHO)(H)2	O(CCHH)2	107.0220	0.000	1	107.0220	0.000	1	111.0443	8.083	9	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NC[5a])(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NC[5a])(CHHO)(H)2	O(CCHH)2	109.9423	2.224	4	109.9423	4.947	4	111.0443	8.083	9	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NC[6a])(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NC[6a])(CHHO)(H)2	O(CCHH)2	113.1520	1.916	4	113.1520	3.671	4	111.0443	8.083	9	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(OB[3x3,3x5,12x6])(CHHO)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(OB[3x3,3x5,12x6])(CHHO)(H)2	O(CCHH)2	108.1955	0.385	2	108.1955	0.149	2	110.0052	5.540	1365	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(OC[5])(CHHO)(H)2	O(CC[5]CH)(CCHH)	C(CHHO)(OC)(H)2	C(OC[5])(CHHO)(H)2	O(CC[5]CH)(CCHH)	112.4240	0.000	1	112.4240	0.000	1	110.0052	5.540	1365	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(OC[5a])(CHHO)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(OC[5a])(CHHO)(H)2	O(CCHH)2	109.8110	1.089	10	109.8110	1.185	10	110.0052	5.540	1365	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(OC[6])(CHHO)(H)2	O(CCCH)(CCHH)	C(CHHO)(OC)(H)2	C(OC[6])(CHHO)(H)2	O(CCCH)(CCHH)	114.6040	0.000	1	114.6040	0.000	1	110.0052	5.540	1365	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(OC[6])(CHHO)(H)2	O(CCHH)(CH3)	C(CHHO)(OC)(H)2	C(OC[6])(CHHO)(H)2	O(CCHH)(CH3)	111.3983	2.305	3	111.3983	5.311	3	110.0052	5.540	1365	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(OC[6])(CHHO)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(OC[6])(CHHO)(H)2	O(CCHH)2	110.6226	2.488	80	110.6226	6.190	80	110.0052	5.540	1365	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CCHH)(CH3)	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CCHH)(CH3)	110.0692	2.543	92	110.0692	6.467	92	110.0052	5.540	1365	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CCHH)(CHHO)	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CCHH)(CHHO)	109.6255	0.944	2	109.6255	0.891	2	110.0052	5.540	1365	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	O(CCHH)2	109.9944	2.339	1135	109.9944	5.470	1135	110.0052	5.540	1365	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(OP[6])(CHHO)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(OP[6])(CHHO)(H)2	O(CCHH)2	108.7771	1.807	39	108.7771	3.265	39	110.0052	5.540	1365	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:Si-4:	C(CHHO)(OSi)(H)2	C(OC[5a])(CHHO)(H)2	O(CCHH)(SiC3)	C(CHHO)(OSi)(H)2	C(OC[5a])(CHHO)(H)2	O(CCHH)(SiC3)	110.4460	0.000	1	110.4460	0.000	1	109.8813	0.248	3	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:Si-4:	C(CHHO)(OSi)(H)2	C(OC[6a])(CHHO)(H)2	O(CCHH)(SiC3)	C(CHHO)(OSi)(H)2	C(OC[6a])(CHHO)(H)2	O(CCHH)(SiC3)	109.5990	0.132	2	109.5990	0.017	2	109.8813	0.248	3	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	S-4:C-4:	C(CHHO)(OS)(H)2	C(OC[6a])(CHHO)(H)2	O(SC[6a]OO)(CCHH)	C(CHHO)(OS)(H)2	C(OC[6a])(CHHO)(H)2	O(SC[6a]OO)(CCHH)	107.6380	0.285	3	107.6380	0.081	3	107.6380	0.081	3	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(SC[5])(CHHO)(H)2	O(CCHH)2	C(CHHS)(OC)(H)2	C(SC[5])(CHHO)(H)2	O(CCHH)2	108.6935	2.218	16	108.6935	4.921	16	108.6351	3.515	31	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(SC[5a])(CHHO)(H)2	O(CCHH)2	C(CHHS)(OC)(H)2	C(SC[5a])(CHHO)(H)2	O(CCHH)2	108.4469	1.507	13	108.4469	2.272	13	108.6351	3.515	31	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(SC[6a])(CHHO)(H)2	O(CCHH)(CH3)	C(CHHS)(OC)(H)2	C(SC[6a])(CHHO)(H)2	O(CCHH)(CH3)	109.3910	1.648	2	109.3910	2.714	2	108.6351	3.515	31	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	S-2:C-4:H-1:H-1:	P-4:C-4:	C(CHHS)(OP)(H)2	C(SC[6a])(CHHO)(H)2	O(PMoOO)(CCHH)	C(CHHS)(OP)(H)2	C(SC[6a])(CHHO)(H)2	O(PMoOO)(CCHH)	107.5835	0.931	2	107.5835	0.867	2	107.5835	0.867	2	109.9731	5.541	1413	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(OC[6])(CCHO)(CHHO)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(OC[6])(CCHO)(CHHO)(H)	O(CCHH)(H)	113.4560	0.000	1	113.4560	0.000	1	111.7617	2.585	3	111.7617	2.585	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(ON[6])(CHHO)2(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(ON[6])(CHHO)2(H)	O(CCHH)(H)	110.9145	0.930	2	110.9145	0.865	2	111.7617	2.585	3	111.7617	2.585	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	2:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(OP[6])(CCHH)(CHHO)(H)	O(CC[6a]HH)(CCHH)	C(CCHO)(OC)(H)2	C(OP[6])(CCHH)(CHHO)(H)	O(CC[6a]HH)(CCHH)	114.8300	0.000	1	114.8300	0.000	1	114.8300	0.000	1	114.8300	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:2:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	N[5]-3:C-4:	C(CC[6a]HO)(ON[5])(H)2	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	O(N[5]C[5]2)(CCHH)	C(CC[6a]HO)(ON[5])(H)2	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	O(N[5]C[5]2)(CCHH)	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:2:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-3:O-2:C-4:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CC[6a]N)(OC[6a])(CHHO)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CC[6a]N)(OC[6a])(CHHO)(H)	O(CCHH)(H)	108.6870	0.000	1	108.6870	0.000	1	108.6870	0.000	1	111.0970	5.358	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:2:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:N-2:C-4:H-1:	C-4:H-1:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	O(CCHH)(H)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	O(CCHH)(H)	113.3030	0.000	1	113.3030	0.000	1	113.3030	0.000	1	111.0970	5.358	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:2:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:H-1:	C(CC[6a]HS)(OH)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHO)(H)	O(CCHH)(H)	C(CC[6a]HS)(OH)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHO)(H)	O(CCHH)(H)	111.3010	0.000	1	111.3010	0.000	1	111.3010	0.000	1	111.0970	5.358	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:2:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:C-4:	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	O(CCHH)(CC3)	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	O(CCHH)(CC3)	108.4800	0.000	1	108.4800	0.000	1	108.4800	0.000	1	108.4800	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:3:4:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(CC[6a]3)(OH)(H)2	C(C[6a]C[6a]2)3(CHHO)	O(CCHH)(H)	C(CC[6a]3)(OH)(H)2	C(C[6a]C[6a]2)3(CHHO)	O(CCHH)(H)	112.9135	0.684	2	112.9135	0.468	2	112.9135	0.468	2	111.3420	2.009	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:3:4:	4:1:	C-4:O-2:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:H-1:	C(CN[5]3)(OH)(H)2	C(N[5]C[5]N[5])3(CHHO)	O(CCHH)(H)	C(CN[5]3)(OH)(H)2	C(N[5]C[5]N[5])3(CHHO)	O(CCHH)(H)	110.8683	1.523	4	110.8683	2.320	4	110.8683	2.320	4	111.3420	2.009	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:3:4:	4:1:	C-4:O-2:H-1:H-1:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C-4:H-1:	C(CN[5a]3)(OH)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	O(CCHH)(H)	C(CN[5a]3)(OH)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	O(CCHH)(H)	110.7180	0.132	2	110.7180	0.017	2	110.7180	0.017	2	111.3420	2.009	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:3:4:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:C-4:	C(CN[5]3)(OC)(H)2	C(N[5]C[5]N[5])3(CHHO)	O(CCHH)(CH3)	C(CN[5]3)(OC)(H)2	C(N[5]C[5]N[5])3(CHHO)	O(CCHH)(CH3)	108.8490	0.714	2	108.8490	0.510	2	108.0692	0.521	6	108.7459	1.889	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:3:4:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:C-4:	C(CN[5]3)(OC)(H)2	C(N[5]C[5]N[5])3(CHHO)	O(CC[6a]HH)(CCHH)	C(CN[5]3)(OC)(H)2	C(N[5]C[5]N[5])3(CHHO)	O(CC[6a]HH)(CCHH)	107.6792	0.299	4	107.6792	0.090	4	108.0692	0.521	6	108.7459	1.889	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:3:4:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:C-4:	P-4:C-4:	C(CN[5]3)(OP)(H)2	C(N[5]C[5]N[5])3(CHHO)	O(PC[6a]2O)(CCHH)	C(CN[5]3)(OP)(H)2	C(N[5]C[5]N[5])3(CHHO)	O(PC[6a]2O)(CCHH)	107.5500	0.000	1	107.5500	0.000	1	107.5500	0.000	1	108.7459	1.889	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:3:4:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C-4:C-4:	C(CN[5a]3)(OC)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	O(CCHH)(CH3)	C(CN[5a]3)(OC)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	O(CCHH)(CH3)	110.4980	0.000	1	110.4980	0.000	1	109.0622	2.291	20	108.7459	1.889	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:3:4:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C-4:C-4:	C(CN[5a]3)(OC)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	O(CCHH)2	C(CN[5a]3)(OC)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	O(CCHH)2	109.2677	2.087	3	109.2677	4.354	3	109.0622	2.291	20	108.7459	1.889	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:3:4:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C-4:C-4:	C(CN[5a]3)(OC)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	O(CC[6]HH)(CCHH)	C(CN[5a]3)(OC)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	O(CC[6]HH)(CCHH)	107.9880	0.000	1	107.9880	0.000	1	109.0622	2.291	20	108.7459	1.889	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:3:4:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C-4:C-4:	C(CN[5a]3)(OC)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	O(CC[6a]HH)(CCHH)	C(CN[5a]3)(OC)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	O(CC[6a]HH)(CCHH)	108.9971	1.498	15	108.9971	2.244	15	109.0622	2.291	20	108.7459	1.889	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:3:4:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C-4:S-4:	C(CN[5a]3)(OS)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	O(CCHH)(SCOO)	C(CN[5a]3)(OS)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	O(CCHH)(SCOO)	108.2110	0.000	2	108.2110	0.000	2	108.2110	0.000	2	108.7459	1.889	29	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]C[5]H)(OH)(H)2	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	O(CCHH)(H)	C(CC[6a]C[5]H)(OH)(H)2	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	O(CCHH)(H)	108.4750	0.000	1	108.4750	0.000	1	108.4750	0.000	1	110.4190	5.584	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(CC[5a]C[6a]H)(OH)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHO)(H)	O(CCHH)(H)	C(CC[5a]C[6a]H)(OH)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHO)(H)	O(CCHH)(H)	114.0600	0.000	1	114.0600	0.000	1	114.0600	0.000	1	110.4190	5.584	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	O(CCHH)(H)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	O(CCHH)(H)	110.0330	0.717	2	110.0330	0.514	2	111.0933	3.630	3	110.4190	5.584	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	O(CCHH)(H)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	O(CCHH)(H)	113.2140	0.000	1	113.2140	0.000	1	111.0933	3.630	3	110.4190	5.584	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]N[5]H)(OH)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	O(CCHH)(H)	C(CC[6a]N[5]H)(OH)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	O(CCHH)(H)	111.7508	3.018	5	111.7508	9.110	5	111.7508	9.110	5	110.4190	5.584	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]N[6]H)(OH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	O(CCHH)(H)	C(CC[6a]N[6]H)(OH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	O(CCHH)(H)	109.4393	2.164	3	109.4393	4.683	3	109.4393	4.683	3	110.4190	5.584	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:N-3:C-4:H-1:	C-4:H-1:	C(CHNN)(OH)(H)2	C(NC[5a]H)2(CHHO)(H)	O(CCHH)(H)	C(CHNN)(OH)(H)2	C(NC[5a]H)2(CHHO)(H)	O(CCHH)(H)	111.1210	0.000	1	111.1210	0.000	1	111.1210	0.000	1	110.4190	5.584	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:1:	4:1:	C-4:O-2:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]N[5]H)(OH)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	O(CCHH)(H)	C(CC[6a]N[5]H)(OH)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	O(CCHH)(H)	109.0435	1.943	4	109.0435	3.776	4	109.0435	3.776	4	110.4190	5.584	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:1:	4:1:	C-4:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:H-1:	C(CN[5]2H)(OH)(H)2	C(N[5]C[5]2)2(CHHO)(H)	O(CCHH)(H)	C(CN[5]2H)(OH)(H)2	C(N[5]C[5]2)2(CHHO)(H)	O(CCHH)(H)	109.1840	0.000	1	109.1840	0.000	1	109.1840	0.000	1	110.4190	5.584	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:1:	4:1:	C-4:O-2:H-1:H-1:	N[5a]-3:N[5a]-3:C-4:H-1:	C-4:H-1:	C(CN[5a]2H)(OH)(H)2	C(N[5a]C[5a]N[5a])2(CHHO)(H)	O(CCHH)(H)	C(CN[5a]2H)(OH)(H)2	C(N[5a]C[5a]N[5a])2(CHHO)(H)	O(CCHH)(H)	109.0150	0.000	1	109.0150	0.000	1	109.0150	0.000	1	110.4190	5.584	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:C-4:	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CHHO)(H)	O(CCHH)(CH3)	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CHHO)(H)	O(CCHH)(CH3)	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	107.7914	0.675	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:Si-4:	C(CC[6a]HN)(OSi)(H)2	C(C[6a]C[6a]2)(NC[5]H)(CHHO)(H)	O(CCHH)(SiC3)	C(CC[6a]HN)(OSi)(H)2	C(C[6a]C[6a]2)(NC[5]H)(CHHO)(H)	O(CCHH)(SiC3)	108.7250	0.000	1	108.7250	0.000	1	108.7250	0.000	1	107.7914	0.675	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:C-4:	C(CC[6a]N[5]H)(OC)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	O(CCHH)(CH3)	C(CC[6a]N[5]H)(OC)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	O(CCHH)(CH3)	107.7065	1.010	2	107.7065	1.021	2	107.7065	1.021	2	107.7914	0.675	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:1:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:S-4:	C(CC[6a]N[5a]H)(OS)(H)2	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	O(CCHH)(SCOO)	C(CC[6a]N[5a]H)(OS)(H)2	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	O(CCHH)(SCOO)	106.9090	0.000	1	106.9090	0.000	1	106.9090	0.000	1	107.7914	0.675	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:2:	4:1:	C-4:O-2:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:N-2:	C-4:H-1:	C(CC[5a]C[6a]N)(OH)(H)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	O(CCHH)(H)	C(CC[5a]C[6a]N)(OH)(H)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	O(CCHH)(H)	115.0360	0.000	1	115.0360	0.000	1	115.0360	0.000	1	115.0360	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:2:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	C-4:C-4:	C(CC[6a]2S)(OC)(H)2	C(C[6a]C[6a]2)2(CHHO)(SCu)	O(CCHH)(CH3)	C(CC[6a]2S)(OC)(H)2	C(C[6a]C[6a]2)2(CHHO)(SCu)	O(CCHH)(CH3)	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	110.1695	7.964	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:3:4:2:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:N-3:C-4:C-2:	S-4:C-4:	C(CC[6a]CN)(OS)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(CC)	O(SC[6a]OO)(CCHH)	C(CC[6a]CN)(OS)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(CC)	O(SC[6a]OO)(CCHH)	108.1740	0.000	1	108.1740	0.000	1	108.1740	0.000	1	110.1695	7.964	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	3:4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:	C(CN[6]HH)(ON[5])(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(N[5]C[5]2)(CCHH)	C(CN[6]HH)(ON[5])(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(N[5]C[5]2)(CCHH)	106.7470	0.000	1	106.7470	0.000	1	106.7470	0.000	1	106.7470	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-3:C-4:F-1:H-1:	C-4:H-1:	C(CCFH)(OH)(H)2	C(CC[6a]C)(CHHO)(F)(H)	O(CCHH)(H)	C(CCFH)(OH)(H)2	C(CC[6a]C)(CHHO)(F)(H)	O(CCHH)(H)	111.1240	0.000	1	111.1240	0.000	1	111.1240	0.000	1	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[5]C)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[5]C)(CHHO)(H)2	O(CCHH)(H)	109.6785	0.227	2	109.6785	0.052	2	112.1298	19.141	9	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[5a]O)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[5a]O)(CHHO)(H)2	O(CCHH)(H)	123.2700	0.000	1	123.2700	0.000	1	112.1298	19.141	9	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[6]O)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[6]O)(CHHO)(H)2	O(CCHH)(H)	110.5076	0.270	5	110.5076	0.073	5	112.1298	19.141	9	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[6a]C)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[6a]C)(CHHO)(H)2	O(CCHH)(H)	114.0030	0.000	1	114.0030	0.000	1	112.1298	19.141	9	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2)(CHHO)(H)2	O(CCHH)(H)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2)(CHHO)(H)2	O(CCHH)(H)	109.9310	0.000	1	109.9310	0.000	1	112.3421	38.505	13	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]N[5])(CHHO)(H)2	O(CCHH)(H)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]N[5])(CHHO)(H)2	O(CCHH)(H)	108.6820	0.000	1	108.6820	0.000	1	112.3421	38.505	13	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]S[5])(CHHO)(H)2	O(CCHH)(H)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]S[5])(CHHO)(H)2	O(CCHH)(H)	112.8940	6.629	11	112.8940	43.950	11	112.3421	38.505	13	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5a]HH)(OH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	O(CCHH)(H)	C(CC[5a]HH)(OH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	O(CCHH)(H)	110.7408	0.793	4	110.7408	0.629	4	111.1853	0.849	7	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5a]HH)(OH)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(H)2	O(CCHH)(H)	C(CC[5a]HH)(OH)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(H)2	O(CCHH)(H)	111.1360	0.000	1	111.1360	0.000	1	111.1853	0.849	7	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5a]HH)(OH)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(H)2	O(CCHH)(H)	C(CC[5a]HH)(OH)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(H)2	O(CCHH)(H)	112.0990	0.861	2	112.0990	0.742	2	111.1853	0.849	7	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]2)(CHHO)(H)2	O(CCHH)(H)	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]2)(CHHO)(H)2	O(CCHH)(H)	113.2420	0.127	2	113.2420	0.016	2	112.5650	1.383	3	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	O(CCHH)(H)	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	O(CCHH)(H)	111.2110	0.000	1	111.2110	0.000	1	112.5650	1.383	3	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(OH)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	O(CCHH)(H)	C(CC[6a]HH)(OH)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	O(CCHH)(H)	109.8165	3.244	4	109.8165	10.523	4	110.4058	6.078	22	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CCHH)(H)	C(CC[6a]HH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CCHH)(H)	110.4091	2.363	17	110.4091	5.586	17	110.4058	6.078	22	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(OH)(H)2	C(C[6a]C[6a]N[6a])(CHHO)(H)2	O(CCHH)(H)	C(CC[6a]HH)(OH)(H)2	C(C[6a]C[6a]N[6a])(CHHO)(H)2	O(CCHH)(H)	112.7080	0.000	1	112.7080	0.000	1	110.4058	6.078	22	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NC[5]H)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NC[5]H)(CHHO)(H)2	O(CCHH)(H)	110.7125	2.074	4	110.7125	4.300	4	111.4065	3.202	63	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NC[5a]C)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NC[5a]C)(CHHO)(H)2	O(CCHH)(H)	110.9650	0.000	1	110.9650	0.000	1	111.4065	3.202	63	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NC[6,6]C)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NC[6,6]C)(CHHO)(H)2	O(CCHH)(H)	110.0560	0.000	1	110.0560	0.000	1	111.4065	3.202	63	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NC[6,6]H)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NC[6,6]H)(CHHO)(H)2	O(CCHH)(H)	111.7360	0.000	1	111.7360	0.000	1	111.4065	3.202	63	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NC[6]C)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NC[6]C)(CHHO)(H)2	O(CCHH)(H)	110.0070	0.000	1	110.0070	0.000	1	111.4065	3.202	63	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NC[6]H)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NC[6]H)(CHHO)(H)2	O(CCHH)(H)	111.3785	2.105	2	111.3785	4.431	2	111.4065	3.202	63	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CCHH)(H)	111.2372	1.619	30	111.2372	2.620	30	111.4065	3.202	63	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NC[6a]H)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NC[6a]H)(CHHO)(H)2	O(CCHH)(H)	111.9921	2.121	21	111.9921	4.499	21	111.4065	3.202	63	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NC[6a]S)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NC[6a]S)(CHHO)(H)2	O(CCHH)(H)	110.6260	0.000	1	110.6260	0.000	1	111.4065	3.202	63	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NN[5]H)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NN[5]H)(CHHO)(H)2	O(CCHH)(H)	110.6610	0.000	1	110.6610	0.000	1	111.4065	3.202	63	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(OH)(H)2	C(N[5]C[5,6]C[5])(CHHO)(H)2	O(CCHH)(H)	C(CN[5]HH)(OH)(H)2	C(N[5]C[5,6]C[5])(CHHO)(H)2	O(CCHH)(H)	112.2360	0.120	2	112.2360	0.014	2	111.5787	2.372	59	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(OH)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	O(CCHH)(H)	C(CN[5]HH)(OH)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	O(CCHH)(H)	111.3158	1.841	13	111.3158	3.390	13	111.5787	2.372	59	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(OH)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)(H)	C(CN[5]HH)(OH)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)(H)	111.6433	1.571	38	111.6433	2.469	38	111.5787	2.372	59	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(OH)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	O(CCHH)(H)	C(CN[5]HH)(OH)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	O(CCHH)(H)	111.5205	0.847	6	111.5205	0.718	6	111.5787	2.372	59	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a,6a]2)(CHHO)(H)2	O(CCHH)(H)	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a,6a]2)(CHHO)(H)2	O(CCHH)(H)	111.0580	0.467	2	111.0580	0.218	2	111.4715	1.622	31	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	O(CCHH)(H)	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	O(CCHH)(H)	112.2379	1.236	9	112.2379	1.527	9	111.4715	1.622	31	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(CCHH)(H)	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(CCHH)(H)	111.6142	0.842	13	111.6142	0.709	13	111.4715	1.622	31	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	O(CCHH)(H)	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	O(CCHH)(H)	110.3394	1.465	7	110.3394	2.145	7	111.4715	1.622	31	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(OH)(H)2	C(N[6]C[6,6]2)(CHHO)(H)2	O(CCHH)(H)	C(CN[6]HH)(OH)(H)2	C(N[6]C[6,6]2)(CHHO)(H)2	O(CCHH)(H)	109.7960	1.860	3	109.7960	3.458	3	111.1328	6.495	36	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(OH)(H)2	C(N[6]C[6,6]C[6])(CHHO)(H)2	O(CCHH)(H)	C(CN[6]HH)(OH)(H)2	C(N[6]C[6,6]C[6])(CHHO)(H)2	O(CCHH)(H)	112.1390	0.000	1	112.1390	0.000	1	111.1328	6.495	36	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(OH)(H)2	C(N[6]C[6,6a]C[6])(CHHO)(H)2	O(CCHH)(H)	C(CN[6]HH)(OH)(H)2	C(N[6]C[6,6a]C[6])(CHHO)(H)2	O(CCHH)(H)	109.1195	1.873	2	109.1195	3.509	2	111.1328	6.495	36	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(OH)(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(CCHH)(H)	C(CN[6]HH)(OH)(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(CCHH)(H)	111.3672	2.631	30	111.3672	6.923	30	111.1328	6.495	36	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a,6a]2)(CHHO)(H)2	O(CCHH)(H)	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a,6a]2)(CHHO)(H)2	O(CCHH)(H)	109.9240	0.000	1	109.9240	0.000	1	111.4967	9.329	9	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(CCHH)(H)	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(CCHH)(H)	110.3730	1.096	6	110.3730	1.200	6	111.4967	9.329	9	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a]N[6a])(CHHO)(H)2	O(CCHH)(H)	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a]N[6a])(CHHO)(H)2	O(CCHH)(H)	115.6540	4.900	2	115.6540	24.012	2	111.4967	9.329	9	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHP)(OH)(H)2	C(PC[6a]H)(CHHO)(H)2	O(CCHH)(H)	C(CHHP)(OH)(H)2	C(PC[6a]H)(CHHO)(H)2	O(CCHH)(H)	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:1:	C-4:O-2:H-1:O-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(OH)(H)(O)	C(N[5a]C[5a,6a]2)(CHOO)(H)2	O(CCHO)(H)	C(CN[5a]HH)(OH)(H)(O)	C(N[5a]C[5a,6a]2)(CHOO)(H)2	O(CCHO)(H)	113.1260	0.000	1	113.1260	0.000	1	113.1260	0.000	1	111.4228	5.860	255	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-3:	C(CHHN)(ON)(H)2	C(NC[6a]N)(CHHO)(H)2	O(CCHH)(NOO)	C(CHHN)(ON)(H)2	C(NC[6a]N)(CHHO)(H)2	O(CCHH)(NOO)	113.9580	0.000	1	113.9580	0.000	1	113.9580	0.000	1	109.8855	33.171	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:	C(CN[5]HH)(ON)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)(NOO)	C(CN[5]HH)(ON)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)(NOO)	105.8130	0.000	1	105.8130	0.000	1	105.8130	0.000	1	109.8855	33.171	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	S-4:C-4:	C(CCHH)(OS)(H)2	C(CC[3]C)(CHHO)(H)2	O(SN[3]OO)(CCHH)	C(CCHH)(OS)(H)2	C(CC[3]C)(CHHO)(H)2	O(SN[3]OO)(CCHH)	112.7642	0.078	6	112.7642	0.006	6	112.7642	0.006	6	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[4]HH)(OC)(H)2	C(C[4]C[4]2)(CHHO)(H)2	O(CCHH)(CH3)	C(CC[4]HH)(OC)(H)2	C(C[4]C[4]2)(CHHO)(H)2	O(CCHH)(CH3)	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2)(CHHO)(H)2	O(CCHH)2	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2)(CHHO)(H)2	O(CCHH)2	109.7530	0.000	1	109.7530	0.000	1	109.7530	0.000	1	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:P-4:	C(CC[5]HH)(OP)(H)2	C(C[5]C[5]S[5])(CHHO)(H)2	O(CCHH)(PO3)	C(CC[5]HH)(OP)(H)2	C(C[5]C[5]S[5])(CHHO)(H)2	O(CCHH)(PO3)	108.5325	0.982	4	108.5325	0.965	4	108.5325	0.965	4	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:Si-4:	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5,6a]C[5])(CHHO)(H)2	O(CCHH)(SiC3)	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5,6a]C[5])(CHHO)(H)2	O(CCHH)(SiC3)	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[5a]HH)(OC)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(H)2	O(CC[5a]C[6a]H)(CCHH)	C(CC[5a]HH)(OC)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(H)2	O(CC[5a]C[6a]H)(CCHH)	107.3790	0.000	1	107.3790	0.000	1	107.3790	0.000	1	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	S-4:C-4:	C(CC[5a]HH)(OS)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(H)2	O(SC[6a]OO)(CCHH)	C(CC[5a]HH)(OS)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(H)2	O(SC[6a]OO)(CCHH)	106.2470	0.000	1	106.2470	0.000	1	107.4050	2.682	2	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	S-4:C-4:	C(CC[5a]HH)(OS)(H)2	C(C[5a]C[5a]S[5a])(CHHO)(H)2	O(SC[6a]OO)(CCHH)	C(CC[5a]HH)(OS)(H)2	C(C[5a]C[5a]S[5a])(CHHO)(H)2	O(SC[6a]OO)(CCHH)	108.5630	0.000	1	108.5630	0.000	1	107.4050	2.682	2	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	Si-4:C-4:	C(CC[5a]HH)(OSi)(H)2	C(C[5a]N[5a,6a]C[5a])(CHHO)(H)2	O(SiC[6a]2C)(CCHH)	C(CC[5a]HH)(OSi)(H)2	C(C[5a]N[5a,6a]C[5a])(CHHO)(H)2	O(SiC[6a]2C)(CCHH)	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2)(CHHO)(H)2	O(CCHH)(CH3)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2)(CHHO)(H)2	O(CCHH)(CH3)	107.9230	0.000	1	107.9230	0.000	1	108.7488	2.067	4	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2)(CHHO)(H)2	O(CCHH)2	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2)(CHHO)(H)2	O(CCHH)2	109.0230	0.000	1	109.0230	0.000	1	108.7488	2.067	4	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	O(CPdCH)(CCHH)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	O(CPdCH)(CCHH)	110.6510	0.000	1	110.6510	0.000	1	108.7488	2.067	4	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]N[6]2)(CHHO)(H)2	O(CCHH)(CH3)	C(CC[6]HH)(OC)(H)2	C(C[6]N[6]2)(CHHO)(H)2	O(CCHH)(CH3)	107.3980	0.000	1	107.3980	0.000	1	108.7488	2.067	4	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:Si-4:	C(CC[6]HH)(OSi)(H)2	C(C[6]C[6,6]C[6])(CHHO)(H)2	O(CCHH)(SiC3)	C(CC[6]HH)(OSi)(H)2	C(C[6]C[6,6]C[6])(CHHO)(H)2	O(CCHH)(SiC3)	108.6930	0.000	1	108.6930	0.000	1	108.6930	0.000	1	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:	C(CC[6]HH)(OC[6])(H)2	C(C[6]C[6]O[6])(CHHO)(H)2	O(C[6]C[6,6a]O[6]H)(CCHH)	C(CC[6]HH)(OC[6])(H)2	C(C[6]C[6]O[6])(CHHO)(H)2	O(C[6]C[6,6a]O[6]H)(CCHH)	109.2160	0.597	2	109.2160	0.356	2	109.2160	0.356	2	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CCHH)(CH3)	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CCHH)(CH3)	110.3020	0.000	1	110.3020	0.000	1	109.8164	9.313	9	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CCHH)2	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CCHH)2	110.6050	2.674	3	110.6050	7.152	3	109.8164	9.313	9	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CC[6]HO)(CCHH)	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CC[6]HO)(CCHH)	106.5130	0.000	1	106.5130	0.000	1	109.8164	9.313	9	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	111.6790	5.876	2	111.6790	34.528	2	109.8164	9.313	9	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CN[6a]HH)(CCHH)	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CN[6a]HH)(CCHH)	107.7550	0.000	1	107.7550	0.000	1	109.8164	9.313	9	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]N[6a])(CHHO)(H)2	O(CCHH)(CH3)	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]N[6a])(CHHO)(H)2	O(CCHH)(CH3)	108.6050	0.000	1	108.6050	0.000	1	109.8164	9.313	9	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:P-4:	C(CC[6a]HH)(OP)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CCHH)(POSS)	C(CC[6a]HH)(OP)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(CCHH)(POSS)	108.2638	1.048	4	108.2638	1.098	4	108.2638	1.098	4	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:	C(CC[6a]HH)(OC[6])(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	C(CC[6a]HH)(OC[6])(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	113.2205	1.541	2	113.2205	2.374	2	113.2205	2.374	2	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:	C(CC[6a]HH)(OS)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(SC[6a]OO)(CCHH)	C(CC[6a]HH)(OS)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	O(SC[6a]OO)(CCHH)	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NC[6]C)(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NC[6]C)(CHHO)(H)2	O(CCHH)2	108.8888	2.874	4	108.8888	8.258	4	108.5822	5.793	41	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NC[6]S)(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NC[6]S)(CHHO)(H)2	O(CCHH)2	110.6877	0.962	4	110.6877	0.925	4	108.5822	5.793	41	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CCHH)2	108.1310	2.500	26	108.1310	6.249	26	108.5822	5.793	41	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NC[6a]H)(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NC[6a]H)(CHHO)(H)2	O(CCHH)2	108.9553	2.176	6	108.9553	4.737	6	108.5822	5.793	41	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NC[6a]Zn)(CHHO)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(NC[6a]Zn)(CHHO)(H)2	O(CCHH)(CH3)	108.4280	0.000	1	108.4280	0.000	1	108.5822	5.793	41	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:Ge-4:	C(CHHN)(OGe)(H)2	C(NC[6]C)(CHHO)(H)2	O(CCHH)(GeO3)	C(CHHN)(OGe)(H)2	C(NC[6]C)(CHHO)(H)2	O(CCHH)(GeO3)	112.2640	0.328	2	112.2640	0.108	2	111.6307	0.368	8	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:Ge-4:	C(CHHN)(OGe)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CCHH)(GeO3)	C(CHHN)(OGe)(H)2	C(NC[6a]C)(CHHO)(H)2	O(CCHH)(GeO3)	111.4197	0.529	6	111.4197	0.280	6	111.6307	0.368	8	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:S-4:	C(CHHN)(OS)(H)2	C(NC[6a]H)(CHHO)(H)2	O(CCHH)(SCOO)	C(CHHN)(OS)(H)2	C(NC[6a]H)(CHHO)(H)2	O(CCHH)(SCOO)	107.4535	0.060	2	107.4535	0.004	2	107.4535	0.004	2	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	S-4:C-4:	C(CHHN)(OS)(H)2	C(NC[6a]H)(CHHO)(H)2	O(SC[6a]OO)(CCHH)	C(CHHN)(OS)(H)2	C(NC[6a]H)(CHHO)(H)2	O(SC[6a]OO)(CCHH)	106.9335	1.013	2	106.9335	1.027	2	106.9335	1.027	2	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	O(CCHH)(CH3)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	O(CCHH)(CH3)	108.8430	0.000	1	108.8430	0.000	1	108.7506	2.305	93	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	O(CCHH)(CH3)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	O(CCHH)(CH3)	109.3405	0.573	2	109.3405	0.329	2	108.7506	2.305	93	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	O(CCHH)2	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	O(CCHH)2	108.0697	1.350	13	108.0697	1.822	13	108.7506	2.305	93	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)(CC3)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)(CC3)	110.9450	0.000	1	110.9450	0.000	1	108.7506	2.305	93	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)(CH3)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)(CH3)	108.6672	1.532	41	108.6672	2.348	41	108.7506	2.305	93	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)2	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CCHH)2	108.8963	1.726	24	108.8963	2.978	24	108.7506	2.305	93	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CC[6]HH)(CCHH)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(CC[6]HH)(CCHH)	111.9600	0.000	1	111.9600	0.000	1	108.7506	2.305	93	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	O(CCHH)2	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	O(CCHH)2	108.9609	0.693	10	108.9609	0.480	10	108.7506	2.305	93	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:	C(CN[5]HH)(OC[5])(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(C[5]C[5]2H)(CCHH)	C(CN[5]HH)(OC[5])(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(C[5]C[5]2H)(CCHH)	111.2885	1.240	2	111.2885	1.537	2	111.1263	0.847	3	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:	C(CN[5]HH)(OC[5])(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(C[5]C[5]S[5]H)(CCHH)	C(CN[5]HH)(OC[5])(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(C[5]C[5]S[5]H)(CCHH)	110.8020	0.000	1	110.8020	0.000	1	111.1263	0.847	3	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6]-4:C-4:	C(CN[5]HH)(OC[6])(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(CN[5]HH)(OC[6])(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	108.5700	0.000	1	108.5700	0.000	1	108.5700	0.000	1	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:	C(CN[5]HH)(OP)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	O(PC[6a]2O)(CCHH)	C(CN[5]HH)(OP)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	O(PC[6a]2O)(CCHH)	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	S-4:C-4:	C(CN[5]HH)(OS)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(SC[6a]OO)(CCHH)	C(CN[5]HH)(OS)(H)2	C(N[5]C[5]2)(CHHO)(H)2	O(SC[6a]OO)(CCHH)	106.2190	0.000	1	106.2190	0.000	1	106.2190	0.000	1	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	O(CCCH)(CCHH)	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	O(CCCH)(CCHH)	111.7355	5.095	2	111.7355	25.956	2	109.1323	4.787	32	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	O(CCHH)(CH3)	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	O(CCHH)(CH3)	108.1370	0.008	2	108.1370	0.000	2	109.1323	4.787	32	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	O(CCHH)(CHHP)	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	O(CCHH)(CHHP)	108.1295	0.827	2	108.1295	0.683	2	109.1323	4.787	32	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	O(CCHH)2	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	O(CCHH)2	108.2713	1.012	3	108.2713	1.024	3	109.1323	4.787	32	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(CCHH)(CC3)	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(CCHH)(CC3)	108.0990	0.000	1	108.0990	0.000	1	109.1323	4.787	32	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(CCHH)(CH3)	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(CCHH)(CH3)	109.4910	0.450	3	109.4910	0.202	3	109.1323	4.787	32	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(CCHH)2	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(CCHH)2	109.8456	2.754	7	109.8456	7.584	7	109.1323	4.787	32	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	O(CCHH)2	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	O(CCHH)2	108.8272	2.087	12	108.8272	4.355	12	109.1323	4.787	32	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:S-4:	C(CN[5a]HH)(OS)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(CCHH)(SCOO)	C(CN[5a]HH)(OS)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	O(CCHH)(SCOO)	107.8730	0.339	2	107.8730	0.115	2	107.8730	0.115	2	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6]-4:C-4:	C(CN[5a]HH)(OC[6])(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(CN[5a]HH)(OC[6])(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	P-4:C-4:	C(CN[5a]HH)(OP)(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	O(PRuOO)(CCHH)	C(CN[5a]HH)(OP)(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	O(PRuOO)(CCHH)	107.3000	0.887	2	107.3000	0.786	2	107.3000	0.786	2	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[6]HH)(OC)(H)2	C(N[6]C[6,6]C[6])(CHHO)(H)2	O(CCHH)(CH3)	C(CN[6]HH)(OC)(H)2	C(N[6]C[6,6]C[6])(CHHO)(H)2	O(CCHH)(CH3)	109.2150	0.963	2	109.2150	0.928	2	108.9410	2.245	20	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[6]HH)(OC)(H)2	C(N[6]C[6,6a]2)(CHHO)(H)2	O(CCHH)(CH3)	C(CN[6]HH)(OC)(H)2	C(N[6]C[6,6a]2)(CHHO)(H)2	O(CCHH)(CH3)	107.7125	2.115	2	107.7125	4.473	2	108.9410	2.245	20	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[6]HH)(OC)(H)2	C(N[6]C[6,6a]2)(CHHO)(H)2	O(CCHH)2	C(CN[6]HH)(OC)(H)2	C(N[6]C[6,6a]2)(CHHO)(H)2	O(CCHH)2	109.0096	0.666	5	109.0096	0.444	5	108.9410	2.245	20	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(CCHH)2	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(CCHH)2	109.2655	1.999	8	109.2655	3.997	8	108.9410	2.245	20	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[6]HH)(OC)(H)2	C(N[6]Ga[3x6]C[6])(CHHO)(H)2	O(CCHH)2	C(CN[6]HH)(OC)(H)2	C(N[6]Ga[3x6]C[6])(CHHO)(H)2	O(CCHH)2	108.5977	1.248	3	108.5977	1.558	3	108.9410	2.245	20	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a,6a]2)(CHHO)(H)2	O(CCHH)(CH3)	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a,6a]2)(CHHO)(H)2	O(CCHH)(CH3)	109.5130	0.000	1	109.5130	0.000	1	110.6780	5.862	5	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(CCHH)2	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(CCHH)2	110.9693	2.693	4	110.9693	7.251	4	110.6780	5.862	5	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:	C(CN[6a]HH)(OC[6])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	C(CN[6a]HH)(OC[6])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	107.4700	0.000	1	107.4700	0.000	1	106.8100	0.335	3	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:	C(CN[6a]HH)(OC[6])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C(CN[6a]HH)(OC[6])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	106.3870	0.000	1	106.3870	0.000	1	106.8100	0.335	3	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:	C(CN[6a]HH)(OC[6])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(C[6]C[6]2H)(CCHH)	C(CN[6a]HH)(OC[6])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	O(C[6]C[6]2H)(CCHH)	106.5730	0.000	1	106.5730	0.000	1	106.8100	0.335	3	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	O[3]-3:C-4:H-1:H-1:	C[6]-4:C-4:	C(CO[3]HH)(OC[6])(H)2	C(O[3]C[3]H[3])(CHHO)(H)2	O(C[6]C[6]2H)(CCHH)	C(CO[3]HH)(OC[6])(H)2	C(O[3]C[3]H[3])(CHHO)(H)2	O(C[6]C[6]2H)(CCHH)	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(SC[6a]Cu)(CHHO)(H)2	O(CCHH)2	C(CHHS)(OC)(H)2	C(SC[6a]Cu)(CHHO)(H)2	O(CCHH)2	110.9150	5.770	2	110.9150	33.293	2	109.7323	20.843	3	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(SC[6a]O)(CHHO)(H)2	O(CCHH)(CH3)	C(CHHS)(OC)(H)2	C(SC[6a]O)(CHHO)(H)2	O(CCHH)(CH3)	107.3670	0.000	1	107.3670	0.000	1	109.7323	20.843	3	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:C-4:	C(CSeHH)(OC)(H)2	C(SePtC)(CHHO)(H)2	O(CCHH)2	C(CSeHH)(OC)(H)2	C(SePtC)(CHHO)(H)2	O(CCHH)2	108.6765	2.176	4	108.6765	4.735	4	108.6765	4.735	4	109.0081	4.166	265	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:1:1:	5:4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	P-5:C-4:	C(CN[6]HH)(OP)(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(PC[6a]CuSS)(CCHH)	C(CN[6]HH)(OP)(H)2	C(N[6]C[6]2)(CHHO)(H)2	O(PC[6a]CuSS)(CCHH)	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NC)(H)	O(CCHH)(H)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NC)(H)	O(CCHH)(H)	112.4695	1.510	2	112.4695	2.279	2	112.4695	2.279	2	112.5476	6.110	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[6a]HO)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(OH)(H)	O(CCHH)(H)	109.1270	0.000	1	109.1270	0.000	1	112.5997	11.069	3	112.5476	6.110	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(ON)(H)	O(CCHH)(H)	C(CC[6a]HO)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(ON)(H)	O(CCHH)(H)	115.7590	0.000	1	115.7590	0.000	1	112.5997	11.069	3	112.5476	6.110	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(OH)(H)2	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	O(CCHH)(H)	C(CC[6a]HO)(OH)(H)2	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	O(CCHH)(H)	112.9130	0.000	1	112.9130	0.000	1	112.5997	11.069	3	112.5476	6.110	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:	C(CC[5a]HO)(OC)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	C(CC[5a]HO)(OC)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	107.3222	1.210	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(ON)(H)	O(CCHH)(CH3)	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(ON)(H)	O(CCHH)(CH3)	106.7230	1.192	2	106.7230	1.421	2	106.7230	1.421	2	107.3222	1.210	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:O-2:H-1:	C-4:C-4:	C(CN[5]HO)(OC)(H)2	C(N[5]C[5]N[5])(CHHO)(OC)(H)	O(CCHH)(CH3)	C(CN[5]HO)(OC)(H)2	C(N[5]C[5]N[5])(CHHO)(OC)(H)	O(CCHH)(CH3)	107.3000	0.000	1	107.3000	0.000	1	107.3000	0.000	1	107.3222	1.210	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(CNO)(H)	O(CCHH)(H)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(CNO)(H)	O(CCHH)(H)	107.7630	0.000	1	107.7630	0.000	1	108.3654	6.190	5	110.7974	3.920	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(COO)(H)	O(CCHH)(H)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(COO)(H)	O(CCHH)(H)	108.5160	2.846	4	108.5160	8.102	4	108.3654	6.190	5	110.7974	3.920	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	O(CCHH)(H)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	O(CCHH)(H)	111.5770	2.153	5	111.5770	4.633	5	111.3130	2.718	27	110.7974	3.920	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	O(CCHH)(H)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	O(CCHH)(H)	111.1573	1.599	19	111.1573	2.558	19	111.3130	2.718	27	110.7974	3.920	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	O(CCHH)(H)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	O(CCHH)(H)	111.8590	1.483	3	111.8590	2.198	3	111.3130	2.718	27	110.7974	3.920	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(NC[6a]H)(CHHO)(COO)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(NC[6a]H)(CHHO)(COO)(H)	O(CCHH)(H)	110.8360	0.000	1	110.8360	0.000	1	110.8360	0.000	1	110.7974	3.920	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:	C(CN[5]CH)(OH)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(CCH)(H)	O(CCHH)(H)	C(CN[5]CH)(OH)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(CCH)(H)	O(CCHH)(H)	109.8020	2.355	2	109.8020	5.544	2	109.8857	2.793	3	110.7974	3.920	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CHHO)(CCH)(H)	O(CCHH)(H)	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CHHO)(CCH)(H)	O(CCHH)(H)	110.0530	0.000	1	110.0530	0.000	1	109.8857	2.793	3	110.7974	3.920	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(CN[6a]CH)(OH)(H)2	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	O(CCHH)(H)	C(CN[6a]CH)(OH)(H)2	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	O(CCHH)(H)	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	110.7974	3.920	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CC[6]H)(CHHO)(NCC)(H)	O(CC[6a]HH)(CCHH)	C(CCHN)(OC)(H)2	C(CC[6]H)(CHHO)(NCC)(H)	O(CC[6a]HH)(CCHH)	113.9120	0.000	2	113.9120	0.000	2	111.4430	18.288	3	110.1921	7.673	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CN[5a]O)(CHHO)(NCH)(H)	O(CC[6a]HH)(CCHH)	C(CCHN)(OC)(H)2	C(CN[5a]O)(CHHO)(NCH)(H)	O(CC[6a]HH)(CCHH)	106.5050	0.000	1	106.5050	0.000	1	111.4430	18.288	3	110.1921	7.673	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	O(CC[6a]HH)(CCHH)	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	O(CC[6a]HH)(CCHH)	112.1480	0.000	2	112.1480	0.000	2	109.4026	4.511	8	110.1921	7.673	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NCO)(H)	O(CCHH)(CH3)	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NCO)(H)	O(CCHH)(CH3)	106.8060	0.000	1	106.8060	0.000	1	109.4026	4.511	8	110.1921	7.673	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NCO)(H)	O(CC[6a]HH)(CCHH)	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NCO)(H)	O(CC[6a]HH)(CCHH)	107.8630	0.000	1	107.8630	0.000	1	109.4026	4.511	8	110.1921	7.673	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NFeC)(H)	O(CCHH)(CH3)	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NFeC)(H)	O(CCHH)(CH3)	109.3790	1.695	3	109.3790	2.872	3	109.4026	4.511	8	110.1921	7.673	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NHS)(H)	O(CC[6a]HH)(CCHH)	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NHS)(H)	O(CC[6a]HH)(CCHH)	108.1190	0.000	1	108.1190	0.000	1	109.4026	4.511	8	110.1921	7.673	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C[3]-4:C-4:	C(CC[6a]HN)(OC[3])(H)2	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	O(C[3]C[3]2H)(CCHH)	C(CC[6a]HN)(OC[3])(H)2	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	O(C[3]C[3]2H)(CCHH)	112.7550	0.000	1	112.7550	0.000	1	112.7550	0.000	1	110.1921	7.673	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:3:3:	4:1:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:N-3:N-3:	C-4:H-1:	C(CN[5a]NN)(OH)(H)2	C(N[5a]N[5a]2)(CHHO)(NOO)2	O(CCHH)(H)	C(CN[5a]NN)(OH)(H)2	C(N[5a]N[5a]2)(CHHO)(NOO)2	O(CCHH)(H)	109.6830	0.000	1	109.6830	0.000	1	109.6830	0.000	1	109.6830	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CC[6]H)(CCCO)(CHHO)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CC[6]H)(CCCO)(CHHO)(H)	O(CCHH)(H)	111.6920	0.000	1	111.6920	0.000	1	111.9435	0.127	2	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CC[6a]O)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]O)(CHHO)(CH3)(H)	O(CCHH)(H)	112.1950	0.000	1	112.1950	0.000	1	111.9435	0.127	2	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2)(CHHO)(CH3)(H)	O(CCHH)(H)	112.4020	1.465	5	112.4020	2.146	5	112.4020	2.146	5	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[5a]CH)(OH)(H)2	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	O(CCHH)(H)	C(CC[5a]CH)(OH)(H)2	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	O(CCHH)(H)	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:F-1:	C-4:H-1:	C(CC[6a]CF)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(F)	O(CCHH)(H)	C(CC[6a]CF)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(F)	O(CCHH)(H)	112.1235	1.850	2	112.1235	3.424	2	112.1235	3.424	2	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	O(CCHH)(H)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	O(CCHH)(H)	106.4900	0.000	1	106.4900	0.000	1	110.8487	6.821	9	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	O(CCHH)(H)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	O(CCHH)(H)	112.7880	0.000	1	112.7880	0.000	1	110.8487	6.821	9	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	O(CCHH)(H)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	O(CCHH)(H)	110.6883	2.572	3	110.6883	6.615	3	110.8487	6.821	9	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	O(CCHH)(H)	110.7900	0.000	1	110.7900	0.000	1	110.8487	6.821	9	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	O(CCHH)(H)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	O(CCHH)(H)	111.3795	3.787	2	111.3795	14.338	2	110.8487	6.821	9	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	O(CCHH)(H)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	O(CCHH)(H)	112.7460	0.000	1	112.7460	0.000	1	110.8487	6.821	9	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	O(CCHH)(H)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	O(CCHH)(H)	107.9690	0.000	1	107.9690	0.000	1	108.7590	1.663	5	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	O(CCHH)(H)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	O(CCHH)(H)	108.3193	0.707	3	108.3193	0.499	3	108.7590	1.663	5	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	O(CCHH)(H)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	O(CCHH)(H)	110.8680	0.000	1	110.8680	0.000	1	108.7590	1.663	5	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NPdCH)(CHHO)(H)	O(CCHH)(H)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NPdCH)(CHHO)(H)	O(CCHH)(H)	106.9820	0.000	1	106.9820	0.000	1	106.9820	0.000	1	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:N[6]-4:C-4:H-1:	C-4:H-1:	C(CC[6a]N[6]H)(OH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	O(CCHH)(H)	C(CC[6a]N[6]H)(OH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	O(CCHH)(H)	112.3090	0.000	1	112.3090	0.000	1	112.3090	0.000	1	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(NC[5]Pd)(CCCH)(CHHO)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(NC[5]Pd)(CCCH)(CHHO)(H)	O(CCHH)(H)	111.6520	1.168	2	111.6520	1.365	2	111.7697	3.035	12	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(NC[6]2)(CHHO)2(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(NC[6]2)(CHHO)2(H)	O(CCHH)(H)	110.3835	1.726	4	110.3835	2.980	4	111.7697	3.035	12	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(NC[6a]C)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(NC[6a]C)(CHHO)(CH3)(H)	O(CCHH)(H)	112.1250	0.389	2	112.1250	0.151	2	111.7697	3.035	12	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(NC[6a]H)(CCHH)(CHHO)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(NC[6a]H)(CCHH)(CHHO)(H)	O(CCHH)(H)	113.0370	1.687	4	113.0370	2.846	4	111.7697	3.035	12	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:	C(CN[5]CH)(OH)(H)2	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	O(CCHH)(H)	C(CN[5]CH)(OH)(H)2	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	O(CCHH)(H)	113.8720	0.000	1	113.8720	0.000	1	111.5935	3.120	6	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CCHH)(CHHO)(H)	O(CCHH)(H)	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CCHH)(CHHO)(H)	O(CCHH)(H)	111.3657	1.935	3	111.3657	3.745	3	111.5935	3.120	6	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CCHO)(CHHO)(H)	O(CCHH)(H)	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CCHO)(CHHO)(H)	O(CCHH)(H)	109.9330	0.000	1	109.9330	0.000	1	111.5935	3.120	6	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	O(CCHH)(H)	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	O(CCHH)(H)	111.6590	0.000	1	111.6590	0.000	1	111.5935	3.120	6	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CN[5a]CH)(OH)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	O(CCHH)(H)	C(CN[5a]CH)(OH)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	O(CCHH)(H)	112.1805	0.217	2	112.1805	0.047	2	110.9956	2.426	8	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CN[5a]CH)(OH)(H)2	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	O(CCHH)(H)	C(CN[5a]CH)(OH)(H)2	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	O(CCHH)(H)	112.3350	0.000	1	112.3350	0.000	1	110.9956	2.426	8	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CN[5a]CH)(OH)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	O(CCHH)(H)	C(CN[5a]CH)(OH)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	O(CCHH)(H)	110.2538	1.548	5	110.2538	2.395	5	110.9956	2.426	8	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:	C(CN[6]CH)(OH)(H)2	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	O(CCHH)(H)	C(CN[6]CH)(OH)(H)2	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	O(CCHH)(H)	111.2930	0.000	1	111.2930	0.000	1	110.9044	0.859	7	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:	C(CN[6]CH)(OH)(H)2	C(N[6]C[6]2)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CN[6]CH)(OH)(H)2	C(N[6]C[6]2)(CHHO)(CH3)(H)	O(CCHH)(H)	111.0785	0.052	2	111.0785	0.003	2	110.9044	0.859	7	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:	C(CN[6]CH)(OH)(H)2	C(N[6]C[6]2)(CHHO)2(H)	O(CCHH)(H)	C(CN[6]CH)(OH)(H)2	C(N[6]C[6]2)(CHHO)2(H)	O(CCHH)(H)	110.7203	1.266	4	110.7203	1.602	4	110.9044	0.859	7	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CN[6a]CH)(OH)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	O(CCHH)(H)	C(CN[6a]CH)(OH)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	O(CCHH)(H)	113.9090	0.000	1	113.9090	0.000	1	113.9090	0.000	1	111.2087	3.723	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-3:C-4:N-4:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CC[6a]O)(CHHO)(NCHH)(H)	O(CCHH)(CH3)	C(CCHN)(OC)(H)2	C(CC[6a]O)(CHHO)(NCHH)(H)	O(CCHH)(CH3)	108.0330	0.000	1	108.0330	0.000	1	108.0330	0.000	1	108.1677	1.566	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:S-4:	C(CC[5a]CH)(OS)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	O(CCHH)(SCOO)	C(CC[5a]CH)(OS)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	O(CCHH)(SCOO)	106.9810	0.000	1	106.9810	0.000	1	106.9810	0.000	1	108.1677	1.566	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	Si-4:C-4:	C(CC[6]CH)(OSi)(H)2	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	O(SiC[6a]2C)(CCHH)	C(CC[6]CH)(OSi)(H)2	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	O(SiC[6a]2C)(CCHH)	107.9190	0.000	1	107.9190	0.000	1	107.9190	0.000	1	108.1677	1.566	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	O(CC[6a]HH)(CCHH)	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	O(CC[6a]HH)(CCHH)	110.4260	0.000	1	110.4260	0.000	1	109.2640	2.455	3	108.1677	1.566	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	O(CCHH)(CH3)	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	O(CCHH)(CH3)	108.6830	1.698	2	108.6830	2.885	2	109.2640	2.455	3	108.1677	1.566	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	S-4:C-4:	C(CC[6a]CH)(OS)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	O(SC[6a]OO)(CCHH)	C(CC[6a]CH)(OS)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	O(SC[6a]OO)(CCHH)	108.3860	0.000	1	108.3860	0.000	1	108.3860	0.000	1	108.1677	1.566	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-1:	S-4:C-4:	C(CC[6a]CO)(OS)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	O(SC[6a]OO)(CCHH)	C(CC[6a]CO)(OS)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	O(SC[6a]OO)(CCHH)	107.7460	0.000	1	107.7460	0.000	1	107.7460	0.000	1	108.1677	1.566	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]S[5])(CHHO)2(H)	O(CCHH)2	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]S[5])(CHHO)2(H)	O(CCHH)2	106.6520	0.000	1	106.6520	0.000	1	106.6520	0.000	1	108.1677	1.566	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:2:	4:1:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:	C(CC[6]CO)(OH)(H)2	C(C[6]C[6]2)(CHHO)(CH3)(OH)	O(CCHH)(H)	C(CC[6]CO)(OH)(H)2	C(C[6]C[6]2)(CHHO)(CH3)(OH)	O(CCHH)(H)	110.9460	0.000	1	110.9460	0.000	1	110.9460	0.000	1	112.5212	1.540	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:2:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:	C(CC[6a]CO)(OH)(H)2	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	O(CCHH)(H)	C(CC[6a]CO)(OH)(H)2	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	O(CCHH)(H)	113.3990	1.018	4	113.3990	1.037	4	112.7463	1.324	7	112.5212	1.540	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:2:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:	C(CC[6a]CO)(OH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	O(CCHH)(H)	C(CC[6a]CO)(OH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	O(CCHH)(H)	112.2185	0.394	2	112.2185	0.155	2	112.7463	1.324	7	112.5212	1.540	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:2:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:	C(CC[6a]CO)(OH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OH)	O(CCHH)(H)	C(CC[6a]CO)(OH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OH)	O(CCHH)(H)	111.1910	0.000	1	111.1910	0.000	1	112.7463	1.324	7	112.5212	1.540	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:2:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:	C(CC[6a]CO)(OC)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	O(CCHH)(CH3)	C(CC[6a]CO)(OC)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	O(CCHH)(CH3)	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:3:	4:4:	C-4:O-2:H-1:H-1:	C-3:C-4:C-4:C-3:	C-4:C-4:	C(CC3)(OC)(H)2	C(CC[6a]C)(CCHH)(CHHO)(COO)	O(CCHH)2	C(CC3)(OC)(H)2	C(CC[6a]C)(CCHH)(CHHO)(COO)	O(CCHH)2	111.0840	0.000	1	111.0840	0.000	1	111.0840	0.000	1	111.0840	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:	C(CC[5]CC)(OH)(H)2	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	O(CCHH)(H)	C(CC[5]CC)(OH)(H)2	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	O(CCHH)(H)	114.8120	0.513	2	114.8120	0.264	2	114.3977	0.647	3	112.7313	4.715	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:	C(CC[5]CC)(OH)(H)2	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	O(CCHH)(H)	C(CC[5]CC)(OH)(H)2	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	O(CCHH)(H)	113.5690	0.000	1	113.5690	0.000	1	114.3977	0.647	3	112.7313	4.715	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:	C(CC[5a]CC)(OH)(H)2	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	O(CCHH)(H)	C(CC[5a]CC)(OH)(H)2	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	O(CCHH)(H)	112.6010	0.000	1	112.6010	0.000	1	112.6010	0.000	1	112.7313	4.715	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:	C(CC[6a]CC)(OH)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	O(CCHH)(H)	C(CC[6a]CC)(OH)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	O(CCHH)(H)	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	112.7313	4.715	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:H-1:	C(CCCN)(OH)(H)2	C(NC[6]2)(CHHO)2(CH3)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(NC[6]2)(CHHO)2(CH3)	O(CCHH)(H)	109.5645	0.607	2	109.5645	0.369	2	109.5645	0.369	2	112.7313	4.715	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:	C(CN[5]CC)(OH)(H)2	C(N[5]Se[5]C[5])(CHHO)(CH3)2	O(CCHH)(H)	C(CN[5]CC)(OH)(H)2	C(N[5]Se[5]C[5])(CHHO)(CH3)2	O(CCHH)(H)	114.4035	4.129	2	114.4035	17.047	2	114.4035	17.047	2	112.7313	4.715	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	O(CCHH)(H)	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	O(CCHH)(H)	112.2900	0.000	1	112.2900	0.000	1	112.1085	0.649	4	112.7313	4.715	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	O(CCHH)(H)	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	O(CCHH)(H)	112.6910	0.000	1	112.6910	0.000	1	112.1085	0.649	4	112.7313	4.715	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	O(CCHH)(H)	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	O(CCHH)(H)	111.7265	1.132	2	111.7265	1.282	2	112.1085	0.649	4	112.7313	4.715	13	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:4:	4:3:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-3:	C(CC[6a]CC)(ON)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)2	O(CCHH)(NOO)	C(CC[6a]CC)(ON)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)2	O(CCHH)(NOO)	106.6930	0.000	1	106.6930	0.000	1	106.6930	0.000	1	106.6930	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:	C(CC[6a]CC)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)2	O(CCHH)(CF3)	C(CC[6a]CC)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)2	O(CCHH)(CF3)	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	109.2096	10.533	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	S-4:C-4:	C(CC[6a]CC)(OS)(H)2	C(C[6a]C[6a]N[6a])(CHHO)2(CH3)	O(SC[6a]OO)(CCHH)	C(CC[6a]CC)(OS)(H)2	C(C[6a]C[6a]N[6a])(CHHO)2(CH3)	O(SC[6a]OO)(CCHH)	107.2740	1.442	2	107.2740	2.081	2	107.2740	2.081	2	109.2096	10.533	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C[6]-4:C-4:	C(CN[6]CC)(OC[6])(H)2	C(N[6]C[6,6a]2)(CHHO)(CH3)2	O(C[6]C[6,6a]2C[6a])(CCHH)	C(CN[6]CC)(OC[6])(H)2	C(N[6]C[6,6a]2)(CHHO)(CH3)2	O(C[6]C[6,6a]2C[6a])(CCHH)	114.6680	0.000	1	114.6680	0.000	1	114.6680	0.000	1	109.2096	10.533	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	3:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	O[4]-3:C-4:C-4:C-4:	C-4:C-4:	C(CO[4]CC)(OC)(H)2	C(O[4]In[4]2)(CHHO)(CH3)2	O(CCHH)(CH3)	C(CO[4]CC)(OC)(H)2	C(O[4]In[4]2)(CHHO)(CH3)2	O(CCHH)(CH3)	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	109.2096	10.533	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[5]O)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[5]O)(CCHH)	108.9493	1.236	4	108.9493	1.528	4	109.2336	1.136	8	109.2336	1.136	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[5x3,5x5,20x6]C[5])(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[5x3,5x5,20x6]C[5])(CCHH)	109.7790	0.725	2	109.7790	0.526	2	109.2336	1.136	8	109.2336	1.136	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	3:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]O)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]O)(CCHH)	109.2570	1.387	2	109.2570	1.925	2	109.2336	1.136	8	109.2336	1.136	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CF3)(OH)(H)2	C(CHHO)(F)3	O(CCHH)(H)	C(CF3)(OH)(H)2	C(CHHO)(F)3	O(CCHH)(H)	110.8762	1.178	20	110.8762	1.387	20	110.8762	1.387	20	112.7330	50.328	926	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:H-1:	C-4:H-1:	C(CFFH)(OH)(H)2	C(CHHO)(F)2(H)	O(CCHH)(H)	C(CFFH)(OH)(H)2	C(CHHO)(F)2(H)	O(CCHH)(H)	109.3383	1.855	3	109.3383	3.440	3	109.3383	3.440	3	112.7330	50.328	926	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)(OH)(H)2	C(CHHO)(H)3	O(CCHH)(H)	C(CH3)(OH)(H)2	C(CHHO)(H)3	O(CCHH)(H)	112.7854	7.173	903	112.7854	51.457	903	112.7854	51.457	903	112.7330	50.328	926	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:2:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CO)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CO)	107.8700	0.000	1	107.8700	0.000	1	107.8700	0.000	1	106.6250	8.267	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:2:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(CH3)(OO)(H)2	C(CHHO)(H)3	O(CCHH)(OC)	C(CH3)(OO)(H)2	C(CHHO)(H)3	O(CCHH)(OC)	106.0025	3.770	2	106.0025	14.210	2	106.0025	14.210	2	106.6250	8.267	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:	C(CH3)(ON)(H)2	C(CHHO)(H)3	O(CCHH)(NCC)	C(CH3)(ON)(H)2	C(CHHO)(H)3	O(CCHH)(NCC)	106.1540	0.000	1	106.1540	0.000	1	106.7262	0.901	4	106.5994	0.757	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:	C(CH3)(ON)(H)2	C(CHHO)(H)3	O(CCHH)(NCO)	C(CH3)(ON)(H)2	C(CHHO)(H)3	O(CCHH)(NCO)	106.4150	0.000	1	106.4150	0.000	1	106.7262	0.901	4	106.5994	0.757	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:	C(CH3)(ON)(H)2	C(CHHO)(H)3	O(CCHH)(NCuC)	C(CH3)(ON)(H)2	C(CHHO)(H)3	O(CCHH)(NCuC)	107.1680	1.375	2	107.1680	1.890	2	106.7262	0.901	4	106.5994	0.757	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:O-3:	C(CH3)(OO)(H)2	C(CHHO)(H)3	O(CCHH)(OZn2)	C(CH3)(OO)(H)2	C(CHHO)(H)3	O(CCHH)(OZn2)	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1	106.5994	0.757	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:C-4:	C(CBrHH)(OC)(H)2	C(CHHO)(Br)(H)2	O(CCHH)2	C(CBrHH)(OC)(H)2	C(CHHO)(Br)(H)2	O(CCHH)2	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Br-1:H-1:H-1:	C[6]-4:C-4:	C(CBrHH)(OC[6])(H)2	C(CHHO)(Br)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(CBrHH)(OC[6])(H)2	C(CHHO)(Br)(H)2	O(C[6]C[6]O[6]H)(CCHH)	108.4800	0.697	2	108.4800	0.486	2	108.4800	0.486	2	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:S-4:	C(CCl3)(OS)(H)2	C(CHHO)(Cl)3	O(CCHH)(SNOO)	C(CCl3)(OS)(H)2	C(CHHO)(Cl)3	O(CCHH)(SNOO)	108.4039	0.841	14	108.4039	0.708	14	107.8005	1.692	24	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:S-4:	C(CCl3)(OS)(H)2	C(CHHO)(Cl)3	O(CCHH)(SO3)	C(CCl3)(OS)(H)2	C(CHHO)(Cl)3	O(CCHH)(SO3)	106.9558	1.393	10	106.9558	1.941	10	107.8005	1.692	24	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	S-4:C-4:	C(CCl3)(OS)(H)2	C(CHHO)(Cl)3	O(SN[3]OO)(CCHH)	C(CCl3)(OS)(H)2	C(CHHO)(Cl)3	O(SN[3]OO)(CCHH)	107.7810	0.000	1	107.7810	0.000	1	108.2332	0.715	5	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	S-4:C-4:	C(CCl3)(OS)(H)2	C(CHHO)(Cl)3	O(SN[5]OO)(CCHH)	C(CCl3)(OS)(H)2	C(CHHO)(Cl)3	O(SN[5]OO)(CCHH)	108.6553	0.854	3	108.6553	0.730	3	108.2332	0.715	5	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	S-4:C-4:	C(CCl3)(OS)(H)2	C(CHHO)(Cl)3	O(SN[6]OO)(CCHH)	C(CCl3)(OS)(H)2	C(CHHO)(Cl)3	O(SN[6]OO)(CCHH)	107.4190	0.000	1	107.4190	0.000	1	108.2332	0.715	5	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-4:	C(CClHH)(OC)(H)2	C(CHHO)(Cl)(H)2	O(CCHH)2	C(CClHH)(OC)(H)2	C(CHHO)(Cl)(H)2	O(CCHH)2	109.1510	0.000	1	109.1510	0.000	1	109.7557	1.702	3	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-4:	C(CClHH)(OC)(H)2	C(CHHO)(Cl)(H)2	O(CC[6a]HH)(CCHH)	C(CClHH)(OC)(H)2	C(CHHO)(Cl)(H)2	O(CC[6a]HH)(CCHH)	111.2530	0.000	1	111.2530	0.000	1	109.7557	1.702	3	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-4:	C(CClHH)(OC)(H)2	C(CHHO)(Cl)(H)2	O(CC[6a]HN)(CCHH)	C(CClHH)(OC)(H)2	C(CHHO)(Cl)(H)2	O(CC[6a]HN)(CCHH)	108.8630	0.000	1	108.8630	0.000	1	109.7557	1.702	3	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:S-4:	C(CClHH)(OS)(H)2	C(CHHO)(Cl)(H)2	O(CCHH)(SCOO)	C(CClHH)(OS)(H)2	C(CHHO)(Cl)(H)2	O(CCHH)(SCOO)	106.4970	0.000	1	106.4970	0.000	1	106.4970	0.000	1	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[5]-4:C-4:	C(CClHH)(OC[5])(H)2	C(CHHO)(Cl)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C(CClHH)(OC[5])(H)2	C(CHHO)(Cl)(H)2	O(C[5]C[5]O[5]H)(CCHH)	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6]-4:C-4:	C(CClHH)(OC[6])(H)2	C(CHHO)(Cl)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(CClHH)(OC[6])(H)2	C(CHHO)(Cl)(H)2	O(C[6]C[6]O[6]H)(CCHH)	110.4765	0.103	2	110.4765	0.011	2	110.4765	0.011	2	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	P-4:C-4:	C(CClHH)(OP)(H)2	C(CHHO)(Cl)(H)2	O(PC[5]OO)(CCHH)	C(CClHH)(OP)(H)2	C(CHHO)(Cl)(H)2	O(PC[5]OO)(CCHH)	109.3010	0.000	1	109.3010	0.000	1	109.3963	2.544	10	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	P-4:C-4:	C(CClHH)(OP)(H)2	C(CHHO)(Cl)(H)2	O(PRuOO)(CCHH)	C(CClHH)(OP)(H)2	C(CHHO)(Cl)(H)2	O(PRuOO)(CCHH)	109.4069	1.692	9	109.4069	2.861	9	109.3963	2.544	10	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	B-4:C-4:	C(CF3)(OB)(H)2	C(CHHO)(F)3	O(BC[6a]3)(CCHH)	C(CF3)(OB)(H)2	C(CHHO)(F)3	O(BC[6a]3)(CCHH)	110.2960	0.000	2	110.2960	0.000	2	110.2960	0.000	2	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:B-4:	C(CF3)(OB)(H)2	C(CHHO)(F)3	O(CCHH)(BO3)	C(CF3)(OB)(H)2	C(CHHO)(F)3	O(CCHH)(BO3)	110.0480	0.985	4	110.0480	0.969	4	110.0480	0.969	4	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CC[6]HH)(CCHH)	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CC[6]HH)(CCHH)	107.7381	0.907	18	107.7381	0.823	18	107.7088	0.711	21	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CC[6a]C[5]H)(CCHH)	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CC[6a]C[5]H)(CCHH)	107.7980	0.000	1	107.7980	0.000	1	107.7088	0.711	21	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CC[6a]HH)(CCHH)	C(CF3)(OC)(H)2	C(CHHO)(F)3	O(CC[6a]HH)(CCHH)	107.4005	0.163	2	107.4005	0.027	2	107.7088	0.711	21	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:P-4:	C(CF3)(OP)(H)2	C(CHHO)(F)3	O(CCHH)(PCOO)	C(CF3)(OP)(H)2	C(CHHO)(F)3	O(CCHH)(PCOO)	108.5987	3.284	6	108.5987	10.784	6	108.4733	6.156	10	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:P-4:	C(CF3)(OP)(H)2	C(CHHO)(F)3	O(CCHH)(PNOP)	C(CF3)(OP)(H)2	C(CHHO)(F)3	O(CCHH)(PNOP)	108.2853	0.646	4	108.2853	0.417	4	108.4733	6.156	10	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:S-4:	C(CF3)(OS)(H)2	C(CHHO)(F)3	O(CCHH)(SCOO)	C(CF3)(OS)(H)2	C(CHHO)(F)3	O(CCHH)(SCOO)	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	P-4:C-4:	C(CF3)(OP)(H)2	C(CHHO)(F)3	O(PIrNO)(CCHH)	C(CF3)(OP)(H)2	C(CHHO)(F)3	O(PIrNO)(CCHH)	107.6939	1.489	59	107.6939	2.217	59	107.6530	2.478	92	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	P-4:C-4:	C(CF3)(OP)(H)2	C(CHHO)(F)3	O(PPtNO)(CCHH)	C(CF3)(OP)(H)2	C(CHHO)(F)3	O(PPtNO)(CCHH)	106.6955	0.885	8	106.6955	0.783	8	107.6530	2.478	92	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	P-4:C-4:	C(CF3)(OP)(H)2	C(CHHO)(F)3	O(PRhNO)(CCHH)	C(CF3)(OP)(H)2	C(CHHO)(F)3	O(PRhNO)(CCHH)	107.9338	1.923	23	107.9338	3.697	23	107.6530	2.478	92	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	P-4:C-4:	C(CF3)(OP)(H)2	C(CHHO)(F)3	O(PTiNO)(CCHH)	C(CF3)(OP)(H)2	C(CHHO)(F)3	O(PTiNO)(CCHH)	107.0490	0.263	2	107.0490	0.069	2	107.6530	2.478	92	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	S-4:C-4:	C(CF3)(OS)(H)2	C(CHHO)(F)3	O(SC[6a]OO)(CCHH)	C(CF3)(OS)(H)2	C(CHHO)(F)3	O(SC[6a]OO)(CCHH)	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:H-1:	C-4:C-4:	C(CFFH)(OC)(H)2	C(CHHO)(F)2(H)	O(CC[6]HH)(CCHH)	C(CFFH)(OC)(H)2	C(CHHO)(F)2(H)	O(CC[6]HH)(CCHH)	108.2996	2.675	5	108.2996	7.154	5	108.2996	7.154	5	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:C-4:	C(CFHH)(OC)(H)2	C(CHHO)(F)(H)2	O(CCHH)2	C(CFHH)(OC)(H)2	C(CHHO)(F)(H)2	O(CCHH)2	110.9785	4.095	2	110.9785	16.768	2	110.9785	16.768	2	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:	C(CH3)(OB)(H)2	C(CHHO)(H)3	O(BC[6a]3)(CCHH)	C(CH3)(OB)(H)2	C(CHHO)(H)3	O(BC[6a]3)(CCHH)	110.2400	0.000	1	110.2400	0.000	1	110.2400	0.000	1	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCCH)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCCH)(CCHH)	109.6800	1.619	2	109.6800	2.622	2	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CC3)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CC3)	109.1390	0.000	1	109.1390	0.000	1	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCHN)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCHN)	109.4137	1.553	3	109.4137	2.413	3	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCHO)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCHO)	108.7827	1.882	42	108.7827	3.543	42	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCHP)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CCHP)	108.6010	0.000	1	108.6010	0.000	1	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CHHO)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)(CHHO)	109.2657	3.405	3	109.2657	11.594	3	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)2	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CCHH)2	110.4844	5.227	1950	110.4844	27.326	1950	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4]HO)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[4]HO)(CCHH)	109.2275	1.367	2	109.2275	1.868	2	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]CH)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]CH)(CCHH)	111.0430	4.185	2	111.0430	17.511	2	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]HH)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]HH)(CCHH)	107.2090	0.000	1	107.2090	0.000	1	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]HO)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5]HO)(CCHH)	109.3273	2.371	6	109.3273	5.619	6	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5a]CH)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5a]CH)(CCHH)	108.4400	0.000	1	108.4400	0.000	1	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5a]HH)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5a]HH)(CCHH)	109.4180	1.260	4	109.4180	1.589	4	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5x3,5x5,20x6]CH)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[5x3,5x5,20x6]CH)(CCHH)	111.4105	1.760	2	111.4105	3.098	2	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]2O)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]2O)(CCHH)	107.3410	0.276	2	107.3410	0.076	2	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]CH)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]CH)(CCHH)	110.0890	0.000	1	110.0890	0.000	1	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]HH)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]HH)(CCHH)	111.9597	1.755	3	111.9597	3.081	3	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]HN)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]HN)(CCHH)	108.4550	0.000	1	108.4550	0.000	1	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]HO)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6]HO)(CCHH)	109.3932	2.533	6	109.3932	6.415	6	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]CH)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]CH)(CCHH)	110.3040	2.851	4	110.3040	8.128	4	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]C[5]C)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]C[5]C)(CCHH)	107.9195	0.474	2	107.9195	0.225	2	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]C[5]H)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]C[5]H)(CCHH)	107.7860	0.000	1	107.7860	0.000	1	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]C[6]Fe)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]C[6]Fe)(CCHH)	108.6305	0.484	2	108.6305	0.235	2	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]C[6]H)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]C[6]H)(CCHH)	110.2360	0.000	1	110.2360	0.000	1	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]Fe2)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]Fe2)(CCHH)	108.4390	0.000	1	108.4390	0.000	1	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]HH)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]HH)(CCHH)	108.6300	0.027	2	108.6300	0.001	2	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]HN)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]HN)(CCHH)	110.5800	0.000	1	110.5800	0.000	1	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]HO)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CC[6a]HO)(CCHH)	109.8576	3.345	5	109.8576	11.190	5	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CDyCO)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CDyCO)(CCHH)	109.2136	2.093	10	109.2136	4.380	10	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CIrCH)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CIrCH)(CCHH)	106.8020	0.000	1	106.8020	0.000	1	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CMoCW)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CMoCW)(CCHH)	107.9950	0.000	1	107.9950	0.000	1	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[6]HH)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[6]HH)(CCHH)	112.9280	0.000	1	112.9280	0.000	1	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[6a]HH)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CN[6a]HH)(CCHH)	112.8950	7.624	2	112.8950	58.126	2	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(COsCO)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(COsCO)(CCHH)	108.6155	2.331	2	108.6155	5.435	2	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CRuCO)(CCHH)	C(CH3)(OC)(H)2	C(CHHO)(H)3	O(CRuCO)(CCHH)	110.1950	0.000	1	110.1950	0.000	1	110.4134	26.098	2070	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PBOO)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PBOO)	108.5220	1.308	2	108.5220	1.711	2	110.2173	8.597	414	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PCCO)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PCCO)	108.9510	0.000	1	108.9510	0.000	1	110.2173	8.597	414	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PCHO)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PCHO)	109.2020	0.000	1	109.2020	0.000	1	110.2173	8.597	414	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PCOO)	110.5308	3.137	292	110.5308	9.842	292	110.2173	8.597	414	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PNNO)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PNNO)	107.3460	0.000	1	107.3460	0.000	1	110.2173	8.597	414	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PNOO)	109.6374	2.360	42	109.6374	5.568	42	110.2173	8.597	414	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PNOS)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PNOS)	109.6916	2.572	18	109.6916	6.615	18	110.2173	8.597	414	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PO3)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(PO3)	109.4176	1.635	26	109.4176	2.674	26	110.2173	8.597	414	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(POOP)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(POOP)	108.8593	2.307	6	108.8593	5.323	6	110.2173	8.597	414	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(POOS)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(POOS)	110.4329	1.378	9	110.4329	1.898	9	110.2173	8.597	414	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(POSS)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(CCHH)(POSS)	108.8316	2.734	16	108.8316	7.474	16	110.2173	8.597	414	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:	C(CH3)(OS)(H)2	C(CHHO)(H)3	O(CCHH)(SNOO)	C(CH3)(OS)(H)2	C(CHHO)(H)3	O(CCHH)(SNOO)	109.8480	0.000	1	109.8480	0.000	1	108.6758	1.092	11	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:	C(CH3)(OS)(H)2	C(CHHO)(H)3	O(CCHH)(SO3)	C(CH3)(OS)(H)2	C(CHHO)(H)3	O(CCHH)(SO3)	108.5586	1.022	10	108.5586	1.045	10	108.6758	1.092	11	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:Si-4:	C(CH3)(OSi)(H)2	C(CHHO)(H)3	O(CCHH)(SiC3)	C(CH3)(OSi)(H)2	C(CHHO)(H)3	O(CCHH)(SiC3)	110.9190	0.000	1	110.9190	0.000	1	110.9190	0.000	1	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[3]OO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[3]OO)(CCHH)	111.1950	3.892	10	111.1950	15.151	10	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[5,5]OO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[5,5]OO)(CCHH)	108.4327	0.549	6	108.4327	0.301	6	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[5]OO)(CCHH)	109.5934	2.005	41	109.5934	4.020	41	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[5]PdO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[5]PdO)(CCHH)	108.6721	1.561	8	108.6721	2.437	8	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[5a]OO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[5a]OO)(CCHH)	108.6770	1.966	16	108.6770	3.866	16	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[5a]OS)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[5a]OS)(CCHH)	108.7420	0.812	4	108.7420	0.659	4	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6,6]OO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6,6]OO)(CCHH)	108.6940	0.553	2	108.6940	0.306	2	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6]CO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6]CO)(CCHH)	109.2110	0.000	1	109.2110	0.000	1	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6]FeH)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6]FeH)(CCHH)	109.1480	0.000	1	109.1480	0.000	1	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6]OO)(CCHH)	110.5417	2.191	25	110.5417	4.802	25	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]2Os)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]2Os)(CCHH)	120.9970	0.000	1	120.9970	0.000	1	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]2Ru)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]2Ru)(CCHH)	107.2350	0.000	1	107.2350	0.000	1	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]CO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]CO)(CCHH)	108.4740	0.999	6	108.4740	0.998	6	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]MnO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]MnO)(CCHH)	109.4802	2.599	8	109.4802	6.757	8	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]OO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]OO)(CCHH)	109.4394	1.916	40	109.4394	3.671	40	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]OS)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]OS)(CCHH)	110.5066	3.087	28	110.5066	9.528	28	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]OsO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]OsO)(CCHH)	110.5717	2.284	19	110.5717	5.216	19	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]ReO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]ReO)(CCHH)	110.9001	3.524	8	110.9001	12.421	8	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]RuO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]RuO)(CCHH)	115.5482	5.901	4	115.5482	34.819	4	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]SS)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]SS)(CCHH)	108.6490	0.000	1	108.6490	0.000	1	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCoOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCoOO)(CCHH)	114.1510	6.138	32	114.1510	37.677	32	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PFeNO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PFeNO)(CCHH)	111.3884	3.541	16	111.3884	12.535	16	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PFeOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PFeOO)(CCHH)	109.6373	2.354	3	109.6373	5.542	3	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PIrOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PIrOO)(CCHH)	108.6710	1.155	12	108.6710	1.334	12	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PMnOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PMnOO)(CCHH)	113.9773	3.130	6	113.9773	9.798	6	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PMo2O)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PMo2O)(CCHH)	110.2415	0.097	2	110.2415	0.009	2	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PMoOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PMoOO)(CCHH)	109.3888	0.473	4	109.3888	0.224	4	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PN[5]OS)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PN[5]OS)(CCHH)	114.1810	3.706	4	114.1810	13.734	4	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PN[6]OO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PN[6]OO)(CCHH)	113.9795	4.675	4	113.9795	21.859	4	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PNiCC)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PNiCC)(CCHH)	108.4410	0.000	1	108.4410	0.000	1	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PPdOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PPdOO)(CCHH)	109.2601	1.296	7	109.2601	1.680	7	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PPtOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PPtOO)(CCHH)	111.4587	1.050	3	111.4587	1.102	3	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PReOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PReOO)(CCHH)	108.8591	1.423	12	108.8591	2.025	12	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PRuCC)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PRuCC)(CCHH)	109.9570	0.000	1	109.9570	0.000	1	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PRuOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PRuOO)(CCHH)	110.9922	3.194	46	110.9922	10.203	46	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PSe2O)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PSe2O)(CCHH)	108.8212	1.587	4	108.8212	2.519	4	110.5202	11.594	387	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:	C(CH3)(OS)(H)2	C(CHHO)(H)3	O(SC[6a]OP)(CCHH)	C(CH3)(OS)(H)2	C(CHHO)(H)3	O(SC[6a]OP)(CCHH)	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CH3)(OSi)(H)2	C(CHHO)(H)3	O(SiCOO)(CCHH)	C(CH3)(OSi)(H)2	C(CHHO)(H)3	O(SiCOO)(CCHH)	111.0140	2.757	3	111.0140	7.599	3	111.4357	13.365	17	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CH3)(OSi)(H)2	C(CHHO)(H)3	O(SiC[6a]CO)(CCHH)	C(CH3)(OSi)(H)2	C(CHHO)(H)3	O(SiC[6a]CO)(CCHH)	110.1637	1.536	4	110.1637	2.358	4	111.4357	13.365	17	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CH3)(OSi)(H)2	C(CHHO)(H)3	O(SiC[6a]PtO)(CCHH)	C(CH3)(OSi)(H)2	C(CHHO)(H)3	O(SiC[6a]PtO)(CCHH)	109.0070	0.000	1	109.0070	0.000	1	111.4357	13.365	17	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CH3)(OSi)(H)2	C(CHHO)(H)3	O(SiNiOO)(CCHH)	C(CH3)(OSi)(H)2	C(CHHO)(H)3	O(SiNiOO)(CCHH)	111.2793	1.188	3	111.2793	1.411	3	111.4357	13.365	17	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CH3)(OSi)(H)2	C(CHHO)(H)3	O(SiRhOO)(CCHH)	C(CH3)(OSi)(H)2	C(CHHO)(H)3	O(SiRhOO)(CCHH)	112.9775	5.683	6	112.9775	32.300	6	111.4357	13.365	17	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:C-4:	C(CHHI)(OC)(H)2	C(CHHO)(H)2(I)	O(CCHH)2	C(CHHI)(OC)(H)2	C(CHHO)(H)2(I)	O(CCHH)2	110.5360	0.000	1	110.5360	0.000	1	110.5360	0.000	1	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(H)2(O)	O(CN[5]HH)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(H)2(O)	O(CN[5]HH)(CCHH)	110.7705	9.339	2	110.7705	87.212	2	110.7705	87.212	2	110.2578	20.672	3092	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	P-5:C-4:	C(CF3)(OP)(H)2	C(CHHO)(F)3	O(PIr2OO)(CCHH)	C(CF3)(OP)(H)2	C(CHHO)(F)3	O(PIr2OO)(CCHH)	109.1873	4.819	4	109.1873	23.227	4	109.1873	23.227	4	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]PdOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PC[6a]PdOO)(CCHH)	107.4555	0.025	2	107.4555	0.001	2	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCeCoOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCeCoOO)(CCHH)	110.1838	2.347	18	110.1838	5.507	18	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCoDyOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCoDyOO)(CCHH)	116.0938	5.049	6	116.0938	25.491	6	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCoGdOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCoGdOO)(CCHH)	114.5330	3.154	6	114.5330	9.950	6	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCoHfOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCoHfOO)(CCHH)	109.0868	1.243	6	109.0868	1.546	6	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCoOOV)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCoOOV)(CCHH)	109.4935	1.551	4	109.4935	2.404	4	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCoTbOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCoTbOO)(CCHH)	115.5070	4.773	6	115.5070	22.778	6	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCoTiOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PCoTiOO)(CCHH)	109.4545	3.009	6	109.4545	9.056	6	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PDyCOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PDyCOO)(CCHH)	109.5403	2.323	18	109.5403	5.394	18	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PHoCOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PHoCOO)(CCHH)	108.0400	1.577	2	108.0400	2.486	2	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PIrNOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PIrNOO)(CCHH)	108.1370	0.660	2	108.1370	0.436	2	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PLaCOO)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PLaCOO)(CCHH)	109.6300	0.968	8	109.6300	0.937	8	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PNiOSS)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PNiOSS)(CCHH)	108.6750	1.090	4	108.6750	1.187	4	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PO3U)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PO3U)(CCHH)	109.5455	1.167	2	109.5455	1.363	2	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(POSSW)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(POSSW)(CCHH)	112.0008	3.271	6	112.0008	10.697	6	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PPdOSS)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PPdOSS)(CCHH)	107.9967	1.664	4	107.9967	2.770	4	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PTcOSS)(CCHH)	C(CH3)(OP)(H)2	C(CHHO)(H)3	O(PTcOSS)(CCHH)	109.6935	0.846	2	109.6935	0.716	2	110.6131	11.801	102	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	Si-5:C-4:	C(CH3)(OSi)(H)2	C(CHHO)(H)3	O(SiMgPtOO)(CCHH)	C(CH3)(OSi)(H)2	C(CHHO)(H)3	O(SiMgPtOO)(CCHH)	108.2660	0.000	1	108.2660	0.000	1	108.2660	0.000	1	110.5378	12.024	107	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:1:1:1:	6:4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	Nb-6:C-4:	C(CH3)(ONb)(H)2	C(CHHO)(H)3	O(NbCl5)(CCHH)	C(CH3)(ONb)(H)2	C(CHHO)(H)3	O(NbCl5)(CCHH)	112.6990	0.000	1	112.6990	0.000	1	112.6990	0.000	1	112.6990	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CHHO)(CC)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CHHO)(CC)(H)2	O(CCHH)(H)	112.2220	0.978	4	112.2220	0.957	4	112.2220	0.957	4	112.1780	10.790	145	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NC)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NC)(H)2	O(CCHH)(H)	111.8476	1.421	11	111.8476	2.020	11	111.8476	2.020	11	112.1780	10.790	145	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:O-2:F-1:F-1:	C-4:H-1:	C(CFFO)(OH)(H)2	C(CHHO)(OC)(F)2	O(CCHH)(H)	C(CFFO)(OH)(H)2	C(CHHO)(OC)(F)2	O(CCHH)(H)	110.3495	0.513	2	110.3495	0.263	2	110.3495	0.263	2	112.1780	10.790	145	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CHHO)(OH)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(H)	C(CHHO)(OH)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(H)	112.3576	2.170	51	112.3576	4.708	51	112.3015	12.252	123	112.1780	10.790	145	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CHHO)(OH)(H)2	C(CHHO)(OFe)(H)2	O(CCHH)(H)	C(CHHO)(OH)(H)2	C(CHHO)(OFe)(H)2	O(CCHH)(H)	108.7460	0.000	1	108.7460	0.000	1	112.3015	12.252	123	112.1780	10.790	145	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CHHO)(OH)(H)2	C(CHHO)(OH)(H)2	O(CCHH)(H)	C(CHHO)(OH)(H)2	C(CHHO)(OH)(H)2	O(CCHH)(H)	112.2882	4.246	70	112.2882	18.026	70	112.3015	12.252	123	112.1780	10.790	145	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CHHO)(OH)(H)2	C(CHHO)(ORu)(H)2	O(CCHH)(H)	C(CHHO)(OH)(H)2	C(CHHO)(ORu)(H)2	O(CCHH)(H)	113.9340	0.000	1	113.9340	0.000	1	112.3015	12.252	123	112.1780	10.790	145	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:	C(CHHS)(OH)(H)2	C(CHHO)(SC)(H)2	O(CCHH)(H)	C(CHHS)(OH)(H)2	C(CHHO)(SC)(H)2	O(CCHH)(H)	110.5624	1.798	5	110.5624	3.234	5	110.5624	3.234	5	112.1780	10.790	145	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:N-3:	C(CHHN)(ON)(H)2	C(CHHO)(NC)(H)2	O(CCHH)(NOO)	C(CHHN)(ON)(H)2	C(CHHO)(NC)(H)2	O(CCHH)(NOO)	113.1960	0.000	1	113.1960	0.000	1	113.1960	0.000	1	113.3316	2.545	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:N-3:	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(NCoC)	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(NCoC)	114.6942	1.456	4	114.6942	2.121	4	113.3343	2.595	51	113.3316	2.545	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:N-3:	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(NCuC)	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(NCuC)	112.2875	1.884	2	112.2875	3.551	2	113.3343	2.595	51	113.3316	2.545	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:N-3:	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(NHS)	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(NHS)	113.6810	0.000	1	113.6810	0.000	1	113.3343	2.595	51	113.3316	2.545	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:N-3:	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(NNiC)	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(NNiC)	112.7445	1.938	18	112.7445	3.757	18	113.3343	2.595	51	113.3316	2.545	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:N-3:	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(NPdC)	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(NPdC)	112.1910	1.056	2	112.1910	1.116	2	113.3343	2.595	51	113.3316	2.545	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:N-3:	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(NZnC)	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	O(CCHH)(NZnC)	113.7180	1.193	24	113.7180	1.424	24	113.3343	2.595	51	113.3316	2.545	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:F-1:F-1:	C-4:O-2:F-1:F-1:	C-4:C-4:	C(CFFO)(OC)(F)2	C(CFFO)(OC)(F)2	O(CCFF)2	C(CFFO)(OC)(F)2	C(CFFO)(OC)(F)2	O(CCFF)2	107.0110	1.044	2	107.0110	1.089	2	107.0110	1.089	2	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:F-1:F-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(F)2	C(CFFO)(OH)(H)2	O(CCFF)2	C(CHHO)(OC)(F)2	C(CFFO)(OH)(H)2	O(CCFF)2	108.2210	1.625	2	108.2210	2.640	2	108.2210	2.640	2	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CC)(H)2	O(CCHH)2	C(CCHH)(OC)(H)2	C(CHHO)(CC)(H)2	O(CCHH)2	110.7740	0.561	2	110.7740	0.315	2	109.3077	3.003	4	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CC)(H)2	O(CC[6a]HH)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)(CC)(H)2	O(CC[6a]HH)(CCHH)	107.8415	0.306	2	107.8415	0.094	2	109.3077	3.003	4	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NC)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(CHHO)(NC)(H)2	O(CCHH)2	109.2210	1.136	3	109.2210	1.291	3	109.2210	1.291	3	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:P-4:	C(CHHN)(OP)(H)2	C(CHHO)(NN)(H)2	O(CCHH)(PCOO)	C(CHHN)(OP)(H)2	C(CHHO)(NN)(H)2	O(CCHH)(PCOO)	110.5145	1.841	4	110.5145	3.389	4	110.5145	3.389	4	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-2:H-1:H-1:	P-4:C-4:	C(CHHN)(OP)(H)2	C(CHHO)(NC)(H)2	O(PRuCC)(CCHH)	C(CHHN)(OP)(H)2	C(CHHO)(NC)(H)2	O(PRuCC)(CCHH)	108.1715	1.307	2	108.1715	1.709	2	108.1715	1.709	2	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	B-4:C-4:	C(CHHO)(OB)(H)2	C(CHHO)(OC)(H)2	O(BC[6a]3)(CCHH)	C(CHHO)(OB)(H)2	C(CHHO)(OC)(H)2	O(BC[6a]3)(CCHH)	111.1750	0.000	1	111.1750	0.000	1	111.1750	0.000	1	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OB)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(CHHO)(OB)(H)2	O(CCHH)2	114.1540	0.000	1	114.1540	0.000	1	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCCH)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCCH)(CCHH)	108.7533	2.383	24	108.7533	5.681	24	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCCO)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCCO)(CCHH)	111.6060	0.000	1	111.6060	0.000	1	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CC3)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CC3)	106.4440	0.000	1	106.4440	0.000	1	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CH3)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CH3)	110.0684	3.668	211	110.0684	13.452	211	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CHHN)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CHHN)	115.3430	0.000	1	115.3430	0.000	1	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CHHO)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CHHO)	108.5710	1.110	2	108.5710	1.232	2	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CHOO)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(CHOO)	112.0088	0.646	6	112.0088	0.418	6	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CCHH)2	109.7697	2.180	4972	109.7697	4.753	4972	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[3x6]HH)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[3x6]HH)(CCHH)	108.8975	0.264	2	108.8975	0.070	2	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[4,5,5]HH)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[4,5,5]HH)(CCHH)	112.1670	4.195	2	112.1670	17.594	2	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6]HH)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6]HH)(CCHH)	109.0325	0.655	2	109.0325	0.430	2	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6a]2O)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6a]2O)(CCHH)	106.4520	0.882	2	106.4520	0.779	2	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6a]HH)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6a]HH)(CCHH)	109.7510	2.369	23	109.7510	5.611	23	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6a]HO)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CC[6a]HO)(CCHH)	108.3455	1.211	2	108.3455	1.467	2	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CN[5]HH)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CN[5]HH)(CCHH)	107.3150	0.031	2	107.3150	0.001	2	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CN[6a]HH)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	O(CN[6a]HH)(CCHH)	109.2025	0.317	2	109.2025	0.101	2	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OGa)(H)2	O(CCHH)(CH3)	C(CHHO)(OC)(H)2	C(CHHO)(OGa)(H)2	O(CCHH)(CH3)	109.1410	0.000	1	109.1410	0.000	1	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CCHH)2	109.3256	1.752	30	109.3256	3.071	30	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CC[5a]HH)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CC[5a]HH)(CCHH)	106.7390	0.000	1	106.7390	0.000	1	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CN[5]HH)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CN[5]HH)(CCHH)	111.5280	4.431	2	111.5280	19.631	2	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CN[5a]HH)(CCHH)	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	O(CN[5a]HH)(CCHH)	109.7656	3.157	7	109.7656	9.969	7	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OP)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(CHHO)(OP)(H)2	O(CCHH)2	109.3110	1.382	3	109.3110	1.910	3	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OS)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(CHHO)(OS)(H)2	O(CCHH)2	110.0738	2.772	4	110.0738	7.682	4	109.7753	5.118	5304	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:P-4:	C(CHHO)(OP)(H)2	C(CHHO)(OP)(H)2	O(CCHH)(PNNO)	C(CHHO)(OP)(H)2	C(CHHO)(OP)(H)2	O(CCHH)(PNNO)	115.5475	0.985	8	115.5475	0.970	8	115.5475	0.970	8	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:S-4:	C(CHHO)(OS)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(SCOO)	C(CHHO)(OS)(H)2	C(CHHO)(OC)(H)2	O(CCHH)(SCOO)	107.6070	0.000	1	107.6070	0.000	1	107.6070	0.000	1	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	Ga-4:C-4:	C(CHHO)(OGa)(H)2	C(CHHO)(OC)(H)2	O(GaC[5]CC)(CCHH)	C(CHHO)(OGa)(H)2	C(CHHO)(OC)(H)2	O(GaC[5]CC)(CCHH)	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	P-4:C-4:	C(CHHO)(OP)(H)2	C(CHHO)(OC)(H)2	O(PC[6a]2Ir)(CCHH)	C(CHHO)(OP)(H)2	C(CHHO)(OC)(H)2	O(PC[6a]2Ir)(CCHH)	106.6520	0.000	1	106.6520	0.000	1	110.1132	4.359	26	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	P-4:C-4:	C(CHHO)(OP)(H)2	C(CHHO)(OC)(H)2	O(PC[6a]SS)(CCHH)	C(CHHO)(OP)(H)2	C(CHHO)(OC)(H)2	O(PC[6a]SS)(CCHH)	108.5560	1.131	2	108.5560	1.280	2	110.1132	4.359	26	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	P-4:C-4:	C(CHHO)(OP)(H)2	C(CHHO)(OP)(H)2	O(PC[6a]SS)(CCHH)	C(CHHO)(OP)(H)2	C(CHHO)(OP)(H)2	O(PC[6a]SS)(CCHH)	110.2799	1.474	13	110.2799	2.172	13	110.1132	4.359	26	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	P-4:C-4:	C(CHHO)(OP)(H)2	C(CHHO)(OP)(H)2	O(PC[6a]Se2)(CCHH)	C(CHHO)(OP)(H)2	C(CHHO)(OP)(H)2	O(PC[6a]Se2)(CCHH)	109.2753	2.712	6	109.2753	7.353	6	110.1132	4.359	26	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	P-4:C-4:	C(CHHO)(OP)(H)2	C(CHHO)(OP)(H)2	O(PClNN)(CCHH)	C(CHHO)(OP)(H)2	C(CHHO)(OP)(H)2	O(PClNN)(CCHH)	112.4723	0.630	4	112.4723	0.397	4	110.1132	4.359	26	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:	C(CHHO)(OS)(H)2	C(CHHO)(OC)(H)2	O(SC[6a]OO)(CCHH)	C(CHHO)(OS)(H)2	C(CHHO)(OC)(H)2	O(SC[6a]OO)(CCHH)	107.3937	0.580	3	107.3937	0.336	3	107.3937	0.336	3	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	B-4:C-4:	C(CHHS)(OB)(H)2	C(CHHO)(SC)(H)2	O(BC[6a]3)(CCHH)	C(CHHS)(OB)(H)2	C(CHHO)(SC)(H)2	O(BC[6a]3)(CCHH)	110.9480	0.000	1	110.9480	0.000	1	110.9480	0.000	1	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SC)(H)2	O(CCHH)(CC3)	C(CHHS)(OC)(H)2	C(CHHO)(SC)(H)2	O(CCHH)(CC3)	109.1390	0.000	1	109.1390	0.000	1	109.5638	3.630	67	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SC)(H)2	O(CCHH)2	C(CHHS)(OC)(H)2	C(CHHO)(SC)(H)2	O(CCHH)2	109.5142	1.885	64	109.5142	3.552	64	109.5638	3.630	67	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SC)(H)2	O(CC[6a]HH)(CCHH)	C(CHHS)(OC)(H)2	C(CHHO)(SC)(H)2	O(CC[6a]HH)(CCHH)	111.3630	3.005	2	111.3630	9.031	2	109.5638	3.630	67	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	P-4:C-4:	C(CHHS)(OP)(H)2	C(CHHO)(SC)(H)2	O(PMoOO)(CCHH)	C(CHHS)(OP)(H)2	C(CHHO)(SC)(H)2	O(PMoOO)(CCHH)	107.4410	1.549	4	107.4410	2.400	4	108.3658	6.076	5	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	P-4:C-4:	C(CHHS)(OP)(H)2	C(CHHO)(SNi)(H)2	O(PNiCC)(CCHH)	C(CHHS)(OP)(H)2	C(CHHO)(SNi)(H)2	O(PNiCC)(CCHH)	112.0650	0.000	1	112.0650	0.000	1	108.3658	6.076	5	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:C-4:	C(CSeHH)(OC)(H)2	C(CHHO)(SeC)(H)2	O(CCHH)2	C(CSeHH)(OC)(H)2	C(CHHO)(SeC)(H)2	O(CCHH)2	108.1087	0.947	10	108.1087	0.897	10	108.1087	0.897	10	109.7750	5.130	5444	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-2:S-2:H-1:	C-4:C-4:	C(CHSS)(OC)(H)2	C(CHHO)(SC)2(H)	O(CCHH)(CH3)	C(CHSS)(OC)(H)2	C(CHHO)(SC)2(H)	O(CCHH)(CH3)	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:4:1:	3:4:	C-4:O-2:H-1:H-1:	C[5]-4:O-2:C-4:H-1:	N[6]-3:C-4:	C(CC[5]HO)(ON[6])(H)2	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	O(N[6]C[6]2)(CCHH)	C(CC[5]HO)(ON[6])(H)2	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	O(N[6]C[6]2)(CCHH)	103.9330	0.000	1	103.9330	0.000	1	103.9330	0.000	1	103.9330	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-2:C-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CC[6a]HH)(NC[5])(CHHO)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CC[6a]HH)(NC[5])(CHHO)(H)	O(CCHH)(H)	114.0580	0.000	1	114.0580	0.000	1	114.0580	0.000	1	111.6662	3.547	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:O-2:C-4:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CC[6a]HO)(OC[6a])(CHHO)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CC[6a]HO)(OC[6a])(CHHO)(H)	O(CCHH)(H)	111.3672	1.770	8	111.3672	3.135	8	111.3672	3.135	8	111.6662	3.547	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-2:C-4:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CN[5a]HH)(OC[6a])(CHHO)(H)	O(CC[6a]HH)(CCHH)	C(CCHO)(OC)(H)2	C(CN[5a]HH)(OC[6a])(CHHO)(H)	O(CC[6a]HH)(CCHH)	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	111.6137	3.792	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Se-2:C-4:H-1:	C-4:C-4:	C(CSeCH)(OC)(H)2	C(CC[6a]2H)(SeC[6a])(CHHO)(H)	O(CC[6a]HH)(CCHH)	C(CSeCH)(OC)(H)2	C(CC[6a]2H)(SeC[6a])(CHHO)(H)	O(CC[6a]HH)(CCHH)	112.9320	0.000	1	112.9320	0.000	1	111.1545	6.319	2	111.6137	3.792	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:2:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Se-2:C-4:H-1:	C-4:C-4:	C(CSeCH)(OC)(H)2	C(CC[6a]N[5]H)(SeC[6a])(CHHO)(H)	O(CC[6a]HH)(CCHH)	C(CSeCH)(OC)(H)2	C(CC[6a]N[5]H)(SeC[6a])(CHHO)(H)	O(CC[6a]HH)(CCHH)	109.3770	0.000	1	109.3770	0.000	1	111.1545	6.319	2	111.6137	3.792	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CHHO)(CCC)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CHHO)(CCC)(H)2	O(CCHH)(H)	111.0003	1.236	3	111.0003	1.527	3	110.5725	3.625	11	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CHHO)(CCH)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CHHO)(CCH)(H)2	O(CCHH)(H)	112.1810	0.000	1	112.1810	0.000	1	110.5725	3.625	11	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CHHO)(CCO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CHHO)(CCO)(H)2	O(CCHH)(H)	108.5870	0.272	3	108.5870	0.074	3	110.5725	3.625	11	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CHHO)(CCS)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CHHO)(CCS)(H)2	O(CCHH)(H)	112.1450	1.992	3	112.1450	3.968	3	110.5725	3.625	11	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CHHO)(CSiC)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CHHO)(CSiC)(H)2	O(CCHH)(H)	108.9200	0.000	1	108.9200	0.000	1	110.5725	3.625	11	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NCC)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NCC)(H)2	O(CCHH)(H)	110.7576	2.177	92	110.7576	4.740	92	110.9556	5.673	152	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NCH)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NCH)(H)2	O(CCHH)(H)	111.2615	1.784	41	111.2615	3.183	41	110.9556	5.673	152	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NCS)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NCS)(H)2	O(CCHH)(H)	112.5702	4.909	5	112.5702	24.096	5	110.9556	5.673	152	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NCuC)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NCuC)(H)2	O(CCHH)(H)	112.3210	0.000	1	112.3210	0.000	1	110.9556	5.673	152	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NHH)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NHH)(H)2	O(CCHH)(H)	103.7820	0.000	1	103.7820	0.000	1	110.9556	5.673	152	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NMnC)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NMnC)(H)2	O(CCHH)(H)	112.6255	0.838	4	112.6255	0.702	4	110.9556	5.673	152	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NNiC)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NNiC)(H)2	O(CCHH)(H)	112.8995	1.927	4	112.8995	3.715	4	110.9556	5.673	152	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NPdC)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NPdC)(H)2	O(CCHH)(H)	112.1800	0.000	1	112.1800	0.000	1	110.9556	5.673	152	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NPtC)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NPtC)(H)2	O(CCHH)(H)	106.8667	4.282	3	106.8667	18.333	3	110.9556	5.673	152	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:H-1:	C(CHHO)(OH)(H)2	C(CHHO)(OOs2)(H)2	O(CCHH)(H)	C(CHHO)(OH)(H)2	C(CHHO)(OOs2)(H)2	O(CCHH)(H)	110.1760	3.002	2	110.1760	9.014	2	110.1760	9.014	2	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:	C(CHHS)(OH)(H)2	C(CHHO)(SCO)(H)2	O(CCHH)(H)	C(CHHS)(OH)(H)2	C(CHHO)(SCO)(H)2	O(CCHH)(H)	108.6305	0.282	2	108.6305	0.080	2	110.0311	4.669	7	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:	C(CHHS)(OH)(H)2	C(CHHO)(SFe2)(H)2	O(CCHH)(H)	C(CHHS)(OH)(H)2	C(CHHO)(SFe2)(H)2	O(CCHH)(H)	109.1740	0.000	1	109.1740	0.000	1	110.0311	4.669	7	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:	C(CHHS)(OH)(H)2	C(CHHO)(SMo2)(H)2	O(CCHH)(H)	C(CHHS)(OH)(H)2	C(CHHO)(SMo2)(H)2	O(CCHH)(H)	109.6400	0.000	1	109.6400	0.000	1	110.0311	4.669	7	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:	C(CHHS)(OH)(H)2	C(CHHO)(SPdC)(H)2	O(CCHH)(H)	C(CHHS)(OH)(H)2	C(CHHO)(SPdC)(H)2	O(CCHH)(H)	113.0275	1.179	2	113.0275	1.389	2	110.0311	4.669	7	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:	C(CHHS)(OH)(H)2	C(CHHO)(SRuC)(H)2	O(CCHH)(H)	C(CHHS)(OH)(H)2	C(CHHO)(SRuC)(H)2	O(CCHH)(H)	108.0880	0.000	1	108.0880	0.000	1	110.0311	4.669	7	110.8844	5.485	172	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:2:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:	C(CCHH)(OO)(H)2	C(CHHO)(COO)(H)2	O(CCHH)(OC)	C(CCHH)(OO)(H)2	C(CHHO)(COO)(H)2	O(CCHH)(OC)	114.2830	0.000	1	114.2830	0.000	1	114.2830	0.000	1	114.2830	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:	C(CHHN)(ON)(H)2	C(CHHO)(NCH)(H)2	O(CCHH)(NOO)	C(CHHN)(ON)(H)2	C(CHHO)(NCH)(H)2	O(CCHH)(NOO)	107.6817	4.159	3	107.6817	17.297	3	107.6817	17.297	3	111.4854	13.116	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:N-3:	C(CHHO)(ON)(H)2	C(CHHO)(OCu2)(H)2	O(CCHH)(NCuC)	C(CHHO)(ON)(H)2	C(CHHO)(OCu2)(H)2	O(CCHH)(NCuC)	113.3992	1.315	4	113.3992	1.729	4	113.3873	1.044	6	111.4854	13.116	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:N-3:	C(CHHO)(ON)(H)2	C(CHHO)(ONiH)(H)2	O(CCHH)(NNiC)	C(CHHO)(ON)(H)2	C(CHHO)(ONiH)(H)2	O(CCHH)(NNiC)	113.3635	0.185	2	113.3635	0.034	2	113.3873	1.044	6	111.4854	13.116	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-3:F-1:H-1:	C-4:C-4:	C(CCFH)(OC)(H)2	C(CHHO)(CCH)(F)(H)	O(CC[6a]HH)(CCHH)	C(CCFH)(OC)(H)2	C(CHHO)(CCH)(F)(H)	O(CC[6a]HH)(CCHH)	108.0115	0.084	2	108.0115	0.007	2	108.0115	0.007	2	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CCH)(H)2	O(CCHH)2	C(CCHH)(OC)(H)2	C(CHHO)(CCH)(H)2	O(CCHH)2	109.5010	1.410	2	109.5010	1.988	2	114.9252	38.946	11	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CCH)(H)2	O(CC[6a]HH)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)(CCH)(H)2	O(CC[6a]HH)(CCHH)	109.4390	1.909	3	109.4390	3.646	3	114.9252	38.946	11	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CCH)(H)2	O(CC[6a]HO)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)(CCH)(H)2	O(CC[6a]HO)(CCHH)	122.3720	1.431	4	122.3720	2.047	4	114.9252	38.946	11	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CNO)(H)2	O(CCCH)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)(CNO)(H)2	O(CCCH)(CCHH)	113.6850	0.000	2	113.6850	0.000	2	114.9252	38.946	11	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:P-4:	C(CCHH)(OP)(H)2	C(CHHO)(CCC)(H)2	O(CCHH)(POSS)	C(CCHH)(OP)(H)2	C(CHHO)(CCC)(H)2	O(CCHH)(POSS)	112.5250	0.000	1	112.5250	0.000	1	112.5250	0.000	1	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:S-4:	C(CCHH)(OS)(H)2	C(CHHO)(CCH)(H)2	O(CCHH)(SCOO)	C(CCHH)(OS)(H)2	C(CHHO)(CCH)(H)2	O(CCHH)(SCOO)	106.3230	0.000	1	106.3230	0.000	1	107.4455	2.520	2	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:S-4:	C(CCHH)(OS)(H)2	C(CHHO)(CCH)(H)2	O(CCHH)(SO3)	C(CCHH)(OS)(H)2	C(CHHO)(CCH)(H)2	O(CCHH)(SO3)	108.5680	0.000	1	108.5680	0.000	1	107.4455	2.520	2	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CCHH)(CH3)	109.2194	1.756	46	109.2194	3.084	46	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CCHH)2	109.2494	1.982	104	109.2494	3.929	104	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CC[5a]HH)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	O(CC[5a]HH)(CCHH)	109.3210	0.000	1	109.3210	0.000	1	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCH)(H)2	O(CCHH)(CC3)	C(CHHN)(OC)(H)2	C(CHHO)(NCH)(H)2	O(CCHH)(CC3)	106.4720	0.000	1	106.4720	0.000	1	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCH)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(CHHO)(NCH)(H)2	O(CCHH)(CH3)	108.0120	0.447	3	108.0120	0.200	3	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCH)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(CHHO)(NCH)(H)2	O(CCHH)2	109.0242	2.114	39	109.0242	4.469	39	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCN)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(CHHO)(NCN)(H)2	O(CCHH)2	107.4275	2.575	2	107.4275	6.628	2	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCS)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(CHHO)(NCS)(H)2	O(CCHH)2	109.2441	3.818	12	109.2441	14.574	12	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCoC)(H)2	O(CCHH)(CC3)	C(CHHN)(OC)(H)2	C(CHHO)(NCoC)(H)2	O(CCHH)(CC3)	107.7730	0.000	1	107.7730	0.000	1	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NFeC)(H)2	O(CCCH)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NFeC)(H)2	O(CCCH)(CCHH)	106.7705	0.818	2	106.7705	0.669	2	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NFeC)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(CHHO)(NFeC)(H)2	O(CCHH)2	107.3340	0.000	1	107.3340	0.000	1	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NFeC)(H)2	O(CC[6a]CH)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NFeC)(H)2	O(CC[6a]CH)(CCHH)	114.5220	0.000	1	114.5220	0.000	1	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NHP)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(CHHO)(NHP)(H)2	O(CCHH)(CH3)	109.2987	2.044	4	109.2987	4.177	4	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NHP)(H)2	O(CC[6a]HH)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NHP)(H)2	O(CC[6a]HH)(CCHH)	107.4030	0.000	1	107.4030	0.000	1	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NHS)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(CHHO)(NHS)(H)2	O(CCHH)2	108.7590	0.000	1	108.7590	0.000	1	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NHS)(H)2	O(CC[6a]C[6]H)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NHS)(H)2	O(CC[6a]C[6]H)(CCHH)	107.3720	0.000	1	107.3720	0.000	1	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NIrC)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(CHHO)(NIrC)(H)2	O(CCHH)(CH3)	109.5075	1.873	2	109.5075	3.509	2	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NNiC)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(CHHO)(NNiC)(H)2	O(CCHH)(CH3)	112.5690	0.000	1	112.5690	0.000	1	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NNiC)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(CHHO)(NNiC)(H)2	O(CCHH)2	108.4510	1.086	2	108.4510	1.180	2	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NPP)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(CHHO)(NPP)(H)2	O(CCHH)(CH3)	109.5040	0.000	1	109.5040	0.000	1	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NPdC)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(CHHO)(NPdC)(H)2	O(CCHH)(CH3)	108.8435	0.893	2	108.8435	0.798	2	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NPdC)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(CHHO)(NPdC)(H)2	O(CCHH)2	109.0807	1.455	4	109.0807	2.118	4	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NPtC)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(CHHO)(NPtC)(H)2	O(CCHH)2	109.9225	3.300	6	109.9225	10.890	6	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NRhC)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(CHHO)(NRhC)(H)2	O(CCHH)(CH3)	108.3245	0.182	2	108.3245	0.033	2	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NRuC)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(CHHO)(NRuC)(H)2	O(CCHH)(CH3)	107.8730	0.245	2	107.8730	0.060	2	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NZnC)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(CHHO)(NZnC)(H)2	O(CCHH)(CH3)	109.7398	2.776	4	109.7398	7.704	4	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NZnC)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(CHHO)(NZnC)(H)2	O(CCHH)2	108.7820	0.000	1	108.7820	0.000	1	109.1464	4.378	247	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:Ge-4:	C(CHHN)(OGe)(H)2	C(CHHO)(NCC)(H)2	O(CCHH)(GeO3)	C(CHHN)(OGe)(H)2	C(CHHO)(NCC)(H)2	O(CCHH)(GeO3)	110.5580	0.000	1	110.5580	0.000	1	110.5580	0.000	1	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:S-4:	C(CHHN)(OS)(H)2	C(CHHO)(NCS)(H)2	O(CCHH)(SCOO)	C(CHHN)(OS)(H)2	C(CHHO)(NCS)(H)2	O(CCHH)(SCOO)	106.1660	0.000	1	106.1660	0.000	1	106.1660	0.000	1	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	Ge-4:C-4:	C(CHHN)(OGe)(H)2	C(CHHO)(NCC)(H)2	O(GeCOO)(CCHH)	C(CHHN)(OGe)(H)2	C(CHHO)(NCC)(H)2	O(GeCOO)(CCHH)	109.9697	0.591	6	109.9697	0.349	6	109.9780	0.221	9	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	Ge-4:C-4:	C(CHHN)(OGe)(H)2	C(CHHO)(NCC)(H)2	O(GeC[3x6]OO)(CCHH)	C(CHHN)(OGe)(H)2	C(CHHO)(NCC)(H)2	O(GeC[3x6]OO)(CCHH)	109.9947	0.105	3	109.9947	0.011	3	109.9780	0.221	9	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	P-4:C-4:	C(CHHN)(OP)(H)2	C(CHHO)(NCC)(H)2	O(PC[6a]2Fe)(CCHH)	C(CHHN)(OP)(H)2	C(CHHO)(NCC)(H)2	O(PC[6a]2Fe)(CCHH)	109.1710	0.000	1	109.1710	0.000	1	109.1710	0.000	1	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:	C(CHHN)(OS)(H)2	C(CHHO)(NCS)(H)2	O(SC[6a]OO)(CCHH)	C(CHHN)(OS)(H)2	C(CHHO)(NCS)(H)2	O(SC[6a]OO)(CCHH)	106.2727	0.760	3	106.2727	0.578	3	106.2727	0.578	3	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	Si-4:C-4:	C(CHHN)(OSi)(H)2	C(CHHO)(NCC)(H)2	O(SiCOO)(CCHH)	C(CHHN)(OSi)(H)2	C(CHHO)(NCC)(H)2	O(SiCOO)(CCHH)	108.6855	0.333	29	108.6855	0.111	29	109.3538	3.840	60	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	Si-4:C-4:	C(CHHN)(OSi)(H)2	C(CHHO)(NCC)(H)2	O(SiClCO)(CCHH)	C(CHHN)(OSi)(H)2	C(CHHO)(NCC)(H)2	O(SiClCO)(CCHH)	107.9665	0.327	2	107.9665	0.107	2	109.3538	3.840	60	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	Si-4:C-4:	C(CHHN)(OSi)(H)2	C(CHHO)(NCC)(H)2	O(SiOsOO)(CCHH)	C(CHHN)(OSi)(H)2	C(CHHO)(NCC)(H)2	O(SiOsOO)(CCHH)	113.3773	0.459	3	113.3773	0.211	3	109.3538	3.840	60	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	Si-4:C-4:	C(CHHN)(OSi)(H)2	C(CHHO)(NCC)(H)2	O(SiSiOO)(CCHH)	C(CHHN)(OSi)(H)2	C(CHHO)(NCC)(H)2	O(SiSiOO)(CCHH)	110.1692	2.995	17	110.1692	8.972	17	109.3538	3.840	60	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	Si-4:C-4:	C(CHHN)(OSi)(H)2	C(CHHO)(NCC)(H)2	O(SiSi[6]OO)(CCHH)	C(CHHN)(OSi)(H)2	C(CHHO)(NCC)(H)2	O(SiSi[6]OO)(CCHH)	108.9341	0.372	9	108.9341	0.138	9	109.3538	3.840	60	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OBaC)(H)2	O(CCHH)(CH3)	C(CHHO)(OC)(H)2	C(CHHO)(OBaC)(H)2	O(CCHH)(CH3)	108.5790	0.000	1	108.5790	0.000	1	110.8221	5.396	26	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OBaH)(H)2	O(CCHH)(CH3)	C(CHHO)(OC)(H)2	C(CHHO)(OBaH)(H)2	O(CCHH)(CH3)	110.2545	2.080	2	110.2545	4.325	2	110.8221	5.396	26	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OBe2)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(CHHO)(OBe2)(H)2	O(CCHH)2	114.3985	0.124	2	114.3985	0.015	2	110.8221	5.396	26	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OBeC)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(CHHO)(OBeC)(H)2	O(CCHH)2	109.7165	1.387	2	109.7165	1.923	2	110.8221	5.396	26	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OCaC)(H)2	O(CCHH)(CH3)	C(CHHO)(OC)(H)2	C(CHHO)(OCaC)(H)2	O(CCHH)(CH3)	110.2830	0.000	1	110.2830	0.000	1	110.8221	5.396	26	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OCaC)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(CHHO)(OCaC)(H)2	O(CCHH)2	110.9790	0.000	1	110.9790	0.000	1	110.8221	5.396	26	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OFeC)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(CHHO)(OFeC)(H)2	O(CCHH)2	112.4890	0.000	1	112.4890	0.000	1	110.8221	5.396	26	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OIrC)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(CHHO)(OIrC)(H)2	O(CCHH)2	109.1160	1.140	2	109.1160	1.299	2	110.8221	5.396	26	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OLiC)(H)2	O(CCHH)(CH3)	C(CHHO)(OC)(H)2	C(CHHO)(OLiC)(H)2	O(CCHH)(CH3)	108.9940	0.000	1	108.9940	0.000	1	110.8221	5.396	26	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OLiC)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(CHHO)(OLiC)(H)2	O(CCHH)2	110.1386	1.804	7	110.1386	3.255	7	110.8221	5.396	26	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OMgC)(H)2	O(CCHH)(CH3)	C(CHHO)(OC)(H)2	C(CHHO)(OMgC)(H)2	O(CCHH)(CH3)	109.1280	0.000	1	109.1280	0.000	1	110.8221	5.396	26	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OMnC)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(CHHO)(OMnC)(H)2	O(CCHH)2	113.1795	3.325	4	113.1795	11.058	4	110.8221	5.396	26	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OZnC)(H)2	O(CCHH)2	C(CHHO)(OC)(H)2	C(CHHO)(OZnC)(H)2	O(CCHH)2	110.2630	0.000	1	110.2630	0.000	1	110.8221	5.396	26	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SAgC)(H)2	O(CCHH)2	C(CHHS)(OC)(H)2	C(CHHO)(SAgC)(H)2	O(CCHH)2	109.5100	0.178	2	109.5100	0.032	2	109.4156	3.101	229	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SCN)(H)2	O(CCHH)2	C(CHHS)(OC)(H)2	C(CHHO)(SCN)(H)2	O(CCHH)2	110.6469	3.190	14	110.6469	10.178	14	109.4156	3.101	229	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SCO)(H)2	O(CCHH)2	C(CHHS)(OC)(H)2	C(CHHO)(SCO)(H)2	O(CCHH)2	107.4995	0.169	2	107.4995	0.029	2	109.4156	3.101	229	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SCoC)(H)2	O(CCHH)2	C(CHHS)(OC)(H)2	C(CHHO)(SCoC)(H)2	O(CCHH)2	109.0205	0.182	2	109.0205	0.033	2	109.4156	3.101	229	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SCuC)(H)2	O(CCHH)2	C(CHHS)(OC)(H)2	C(CHHO)(SCuC)(H)2	O(CCHH)2	109.9759	2.153	10	109.9759	4.637	10	109.4156	3.101	229	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SFe2)(H)2	O(CCHH)2	C(CHHS)(OC)(H)2	C(CHHO)(SFe2)(H)2	O(CCHH)2	110.0586	2.960	14	110.0586	8.762	14	109.4156	3.101	229	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SHgC)(H)2	O(CCHH)2	C(CHHS)(OC)(H)2	C(CHHO)(SHgC)(H)2	O(CCHH)2	109.6800	2.809	2	109.6800	7.888	2	109.4156	3.101	229	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SNiC)(H)2	O(CCHH)2	C(CHHS)(OC)(H)2	C(CHHO)(SNiC)(H)2	O(CCHH)2	105.7275	0.920	4	105.7275	0.846	4	109.4156	3.101	229	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SPdC)(H)2	O(CCHH)2	C(CHHS)(OC)(H)2	C(CHHO)(SPdC)(H)2	O(CCHH)2	109.3389	1.344	171	109.3389	1.807	171	109.4156	3.101	229	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SPtC)(H)2	O(CCHH)2	C(CHHS)(OC)(H)2	C(CHHO)(SPtC)(H)2	O(CCHH)2	110.2502	0.335	4	110.2502	0.113	4	109.4156	3.101	229	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SSnC)(H)2	O(CCHH)2	C(CHHS)(OC)(H)2	C(CHHO)(SSnC)(H)2	O(CCHH)2	108.5652	0.820	4	108.5652	0.673	4	109.4156	3.101	229	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	P-4:C-4:	C(CHHS)(OP)(H)2	C(CHHO)(SFe2)(H)2	O(PC[6a]Fe2)(CCHH)	C(CHHS)(OP)(H)2	C(CHHO)(SFe2)(H)2	O(PC[6a]Fe2)(CCHH)	113.5830	0.153	2	113.5830	0.023	2	111.8342	3.618	9	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	P-4:C-4:	C(CHHS)(OP)(H)2	C(CHHO)(SFe2)(H)2	O(PClFe2)(CCHH)	C(CHHS)(OP)(H)2	C(CHHO)(SFe2)(H)2	O(PClFe2)(CCHH)	112.1410	0.000	1	112.1410	0.000	1	111.8342	3.618	9	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	P-4:C-4:	C(CHHS)(OP)(H)2	C(CHHO)(SFe2)(H)2	O(PFe2O)(CCHH)	C(CHHS)(OP)(H)2	C(CHHO)(SFe2)(H)2	O(PFe2O)(CCHH)	112.1670	0.000	1	112.1670	0.000	1	111.8342	3.618	9	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	P-4:C-4:	C(CHHS)(OP)(H)2	C(CHHO)(SPtC)(H)2	O(PMoOO)(CCHH)	C(CHHS)(OP)(H)2	C(CHHO)(SPtC)(H)2	O(PMoOO)(CCHH)	109.2110	0.257	2	109.2110	0.066	2	111.8342	3.618	9	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	P-4:C-4:	C(CHHS)(OP)(H)2	C(CHHO)(SRuC)(H)2	O(PRuCC)(CCHH)	C(CHHS)(OP)(H)2	C(CHHO)(SRuC)(H)2	O(PRuCC)(CCHH)	112.2040	2.045	3	112.2040	4.181	3	111.8342	3.618	9	109.4794	5.140	602	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(CNO)(NC)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(CNO)(NC)(H)	O(CCHH)(H)	111.5740	1.621	2	111.5740	2.627	2	110.7480	3.360	3	111.1778	2.979	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NS)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NS)(H)	O(CCHH)(H)	109.0960	0.000	1	109.0960	0.000	1	110.7480	3.360	3	111.1778	2.979	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CHHO)(COO)(OH)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CHHO)(COO)(OH)(H)	O(CCHH)(H)	112.4670	0.000	1	112.4670	0.000	1	112.4670	0.000	1	111.1778	2.979	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CHHO)(CCC)(OH)(H)	O(CCHH)(CH3)	C(CCHO)(OC)(H)2	C(CHHO)(CCC)(OH)(H)	O(CCHH)(CH3)	107.9930	0.000	1	107.9930	0.000	1	107.9930	0.000	1	107.1873	0.488	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:P-4:	C(CCHO)(OP)(H)2	C(CHHO)(COO)(OH)(H)	O(CCHH)(PO3)	C(CCHO)(OP)(H)2	C(CHHO)(COO)(OH)(H)	O(CCHH)(PO3)	106.7845	0.052	2	106.7845	0.003	2	106.7845	0.003	2	107.1873	0.488	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(CCH)(NCH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(CCH)(NCH)(H)	O(CCHH)(H)	110.7540	0.000	1	110.7540	0.000	1	111.0771	2.731	47	111.0080	3.293	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(CNO)(NCH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(CNO)(NCH)(H)	O(CCHH)(H)	111.1839	2.039	16	111.1839	4.156	16	111.0771	2.731	47	111.0080	3.293	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NCC)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NCC)(H)	O(CCHH)(H)	109.9895	0.235	2	109.9895	0.055	2	111.0771	2.731	47	111.0080	3.293	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NCH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NCH)(H)	O(CCHH)(H)	111.1453	1.511	27	111.1453	2.282	27	111.0771	2.731	47	111.0080	3.293	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NHS)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NHS)(H)	O(CCHH)(H)	110.0220	0.000	1	110.0220	0.000	1	111.0771	2.731	47	111.0080	3.293	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(NCuC)(COO)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(NCuC)(COO)(H)	O(CCHH)(H)	111.6010	2.377	3	111.6010	5.650	3	110.6020	7.234	8	111.0080	3.293	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(NNiC)(CNO)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(NNiC)(CNO)(H)	O(CCHH)(H)	111.0343	2.102	4	111.0343	4.420	4	110.6020	7.234	8	111.0080	3.293	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(NSnC)(COO)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(NSnC)(COO)(H)	O(CCHH)(H)	105.8760	0.000	1	105.8760	0.000	1	110.6020	7.234	8	111.0080	3.293	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CHHO)(CCH)(NCC)(H)	O(CC[6a]HH)(CCHH)	C(CCHN)(OC)(H)2	C(CHHO)(CCH)(NCC)(H)	O(CC[6a]HH)(CCHH)	113.5810	0.000	2	113.5810	0.000	2	110.5742	11.521	5	110.5742	11.521	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CHHO)(CNO)(NCH)(H)	O(CCHH)2	C(CCHN)(OC)(H)2	C(CHHO)(CNO)(NCH)(H)	O(CCHH)2	108.5697	2.824	3	108.5697	7.974	3	110.5742	11.521	5	110.5742	11.521	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:3:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:H-1:	C(CN3)(OH)(H)2	C(CHHO)(NOO)3	O(CCHH)(H)	C(CN3)(OH)(H)2	C(CHHO)(NOO)3	O(CCHH)(H)	110.9890	0.303	2	110.9890	0.092	2	110.9890	0.092	2	110.9890	0.092	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CC[6a]2H)(CC[6a]O)(CHHO)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]2H)(CC[6a]O)(CHHO)(H)	O(CCHH)(H)	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	110.9996	1.442	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	O(CCHH)(H)	111.9120	0.000	2	111.9120	0.000	2	111.9120	0.000	2	110.9996	1.442	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[5,5]-4:C[6a]-3:C-4:H-1:	C-4:H-1:	C(CC[5,5]C[6a]H)(OH)(H)2	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	O(CCHH)(H)	C(CC[5,5]C[6a]H)(OH)(H)2	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	O(CCHH)(H)	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	110.9996	1.442	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C-4:H-1:	C-4:H-1:	C(CC[5,6]C[6a]H)(OH)(H)2	C(C[5,6]C[5,6a]N[5,6]O[6])(C[6a]C[6a]2)(CHHO)(H)	O(CCHH)(H)	C(CC[5,6]C[6a]H)(OH)(H)2	C(C[5,6]C[5,6a]N[5,6]O[6])(C[6a]C[6a]2)(CHHO)(H)	O(CCHH)(H)	110.9150	0.000	1	110.9150	0.000	1	110.9150	0.000	1	110.9996	1.442	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:3:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-4:	C(CC[6a]C[5]H)(OC)(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHO)(H)	O(CC[6a]HH)(CCHH)	C(CC[6a]C[5]H)(OC)(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHO)(H)	O(CC[6a]HH)(CCHH)	104.5220	0.956	2	104.5220	0.914	2	104.5220	0.914	2	104.5220	0.914	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:H-1:	C(CBrCH)(OH)(H)2	C(CC[6a]ClH)(CHHO)(Br)(H)	O(CCHH)(H)	C(CBrCH)(OH)(H)2	C(CC[6a]ClH)(CHHO)(Br)(H)	O(CCHH)(H)	113.4780	0.000	1	113.4780	0.000	1	111.3514	4.855	5	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:H-1:	C(CBrCH)(OH)(H)2	C(CC[6a]HN)(CHHO)(Br)(H)	O(CCHH)(H)	C(CBrCH)(OH)(H)2	C(CC[6a]HN)(CHHO)(Br)(H)	O(CCHH)(H)	110.7140	0.000	1	110.7140	0.000	1	111.3514	4.855	5	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:H-1:	C(CBrCH)(OH)(H)2	C(CC[6a]HO)(CHHO)(Br)(H)	O(CCHH)(H)	C(CBrCH)(OH)(H)2	C(CC[6a]HO)(CHHO)(Br)(H)	O(CCHH)(H)	110.8550	2.622	3	110.8550	6.876	3	111.3514	4.855	5	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:	C(CClCH)(OH)(H)2	C(CCHH)(CHHO)(Cl)(H)	O(CCHH)(H)	C(CClCH)(OH)(H)2	C(CCHH)(CHHO)(Cl)(H)	O(CCHH)(H)	113.0200	0.175	2	113.0200	0.031	2	112.1778	2.830	10	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:	C(CClCH)(OH)(H)2	C(CCHO)(CHHO)(Cl)(H)	O(CCHH)(H)	C(CClCH)(OH)(H)2	C(CCHO)(CHHO)(Cl)(H)	O(CCHH)(H)	111.1747	1.656	3	111.1747	2.744	3	112.1778	2.830	10	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:	C(CClCH)(OH)(H)2	C(CC[6a]HH)(CHHO)(Cl)(H)	O(CCHH)(H)	C(CClCH)(OH)(H)2	C(CC[6a]HH)(CHHO)(Cl)(H)	O(CCHH)(H)	111.7485	2.531	2	111.7485	6.405	2	112.1778	2.830	10	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:	C(CClCH)(OH)(H)2	C(CHHO)(CC3)(Cl)(H)	O(CCHH)(H)	C(CClCH)(OH)(H)2	C(CHHO)(CC3)(Cl)(H)	O(CCHH)(H)	112.9057	1.891	3	112.9057	3.577	3	112.1778	2.830	10	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:H-1:	C(CCFF)(OH)(H)2	C(CCFF)(CHHO)(F)2	O(CCHH)(H)	C(CCFF)(OH)(H)2	C(CCFF)(CHHO)(F)2	O(CCHH)(H)	110.0355	0.707	18	110.0355	0.501	18	110.0355	0.501	18	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:H-1:	C(CCFH)(OH)(H)2	C(CC[6a]HH)(CHHO)(F)(H)	O(CCHH)(H)	C(CCFH)(OH)(H)2	C(CC[6a]HH)(CHHO)(F)(H)	O(CCHH)(H)	112.0860	0.000	1	112.0860	0.000	1	112.0860	0.000	1	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CCCH)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CCCH)(CHHO)(H)2	O(CCHH)(H)	110.9009	1.672	8	110.9009	2.795	8	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CCCN)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CCCN)(CHHO)(H)2	O(CCHH)(H)	110.0440	0.000	1	110.0440	0.000	1	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(H)	111.5911	3.773	120	111.5911	14.232	120	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CCHN)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CCHN)(CHHO)(H)2	O(CCHH)(H)	111.4821	2.520	7	111.4821	6.350	7	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CCHO)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CCHO)(CHHO)(H)2	O(CCHH)(H)	111.1576	2.259	7	111.1576	5.103	7	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CCHP)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CCHP)(CHHO)(H)2	O(CCHH)(H)	110.7570	3.929	2	110.7570	15.435	2	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[5,6]HH)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[5,6]HH)(CHHO)(H)2	O(CCHH)(H)	111.6060	0.000	1	111.6060	0.000	1	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[5]CH)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[5]CH)(CHHO)(H)2	O(CCHH)(H)	112.6573	0.190	3	112.6573	0.036	3	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CCHH)(H)	110.7011	2.078	8	110.7011	4.317	8	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[5]HO)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[5]HO)(CHHO)(H)2	O(CCHH)(H)	115.6640	0.000	1	115.6640	0.000	1	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[5a]CC)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[5a]CC)(CHHO)(H)2	O(CCHH)(H)	109.4690	0.000	1	109.4690	0.000	1	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[5a]C[6a]H)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[5a]C[6a]H)(CHHO)(H)2	O(CCHH)(H)	111.6820	0.000	1	111.6820	0.000	1	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[5a]HH)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[5a]HH)(CHHO)(H)2	O(CCHH)(H)	111.7137	1.700	14	111.7137	2.891	14	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[5a]HP)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[5a]HP)(CHHO)(H)2	O(CCHH)(H)	111.0550	0.000	1	111.0550	0.000	1	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[6]HH)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[6]HH)(CHHO)(H)2	O(CCHH)(H)	111.9787	1.948	4	111.9787	3.793	4	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[6a]2H)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[6a]2H)(CHHO)(H)2	O(CCHH)(H)	114.4160	0.000	1	114.4160	0.000	1	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[6a]CH)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[6a]CH)(CHHO)(H)2	O(CCHH)(H)	112.8134	0.590	5	112.8134	0.348	5	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(CCHH)(H)	109.5553	1.674	4	109.5553	2.801	4	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[6a]HN)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[6a]HN)(CHHO)(H)2	O(CCHH)(H)	112.6267	0.363	3	112.6267	0.131	3	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[6a]HP)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[6a]HP)(CHHO)(H)2	O(CCHH)(H)	114.8730	0.000	1	114.8730	0.000	1	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CC[6a]HS)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[6a]HS)(CHHO)(H)2	O(CCHH)(H)	108.5350	0.000	1	108.5350	0.000	1	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CHHN)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CHHN)(CHHO)(H)2	O(CCHH)(H)	111.6908	2.291	39	111.6908	5.248	39	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(H)	111.5206	4.032	35	111.5206	16.256	35	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CHHO)(CHHP)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CHHO)(CHHP)(H)2	O(CCHH)(H)	111.9552	1.386	6	111.9552	1.922	6	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CHHO)(CHHS)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CHHO)(CHHS)(H)2	O(CCHH)(H)	113.5780	0.000	1	113.5780	0.000	1	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CHHO)2(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CHHO)2(H)2	O(CCHH)(H)	111.4869	1.817	10	111.4869	3.301	10	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CN[5]HH)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CN[5]HH)(CHHO)(H)2	O(CCHH)(H)	111.0190	1.509	6	111.0190	2.277	6	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CN[5a]HH)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CN[5a]HH)(CHHO)(H)2	O(CCHH)(H)	111.7113	2.162	4	111.7113	4.676	4	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CN[6]HH)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CN[6]HH)(CHHO)(H)2	O(CCHH)(H)	110.5735	2.837	4	110.5735	8.048	4	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OH)(H)2	C(CN[6a]HH)(CHHO)(H)2	O(CCHH)(H)	C(CCHH)(OH)(H)2	C(CN[6a]HH)(CHHO)(H)2	O(CCHH)(H)	108.5960	0.988	3	108.5960	0.977	3	111.5282	9.512	302	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:H-1:	C(CCHI)(OH)(H)2	C(CC[6a]N[5a]H)(CHHO)(H)(I)	O(CCHH)(H)	C(CCHI)(OH)(H)2	C(CC[6a]N[5a]H)(CHHO)(H)(I)	O(CCHH)(H)	111.5070	0.000	1	111.5070	0.000	1	111.5070	0.000	1	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:N-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(H)(N)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(H)(N)	O(CCHH)(H)	108.9166	5.002	7	108.9166	25.019	7	108.9166	25.019	7	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NC3)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NC3)(H)2	O(CCHH)(H)	114.5130	10.238	34	114.5130	104.817	34	111.6129	30.096	153	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NCCH)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NCCH)(H)2	O(CCHH)(H)	110.2099	2.596	51	110.2099	6.740	51	111.6129	30.096	153	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NCCO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NCCO)(H)2	O(CCHH)(H)	109.5740	0.000	1	109.5740	0.000	1	111.6129	30.096	153	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NCHH)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NCHH)(H)2	O(CCHH)(H)	111.3533	1.584	24	111.3533	2.508	24	111.6129	30.096	153	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NH3)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NH3)(H)2	O(CCHH)(H)	111.1757	2.797	42	111.1757	7.821	42	111.6129	30.096	153	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(CHHO)(NHHN)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(CHHO)(NHHN)(H)2	O(CCHH)(H)	111.1940	0.000	1	111.1940	0.000	1	111.6129	30.096	153	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:H-1:	C(CHHP)(OH)(H)2	C(CHHO)(PC3)(H)2	O(CCHH)(H)	C(CHHP)(OH)(H)2	C(CHHO)(PC3)(H)2	O(CCHH)(H)	112.7270	4.381	2	112.7270	19.195	2	112.7270	19.195	2	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:H-1:	C(CHHS)(OH)(H)2	C(CHHO)(SCOO)(H)2	O(CCHH)(H)	C(CHHS)(OH)(H)2	C(CHHO)(SCOO)(H)2	O(CCHH)(H)	109.6340	0.175	2	109.6340	0.031	2	109.6340	0.031	2	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[3x5,6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[3x5,6]HH)(OH)(H)2	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(CHHO)(H)2	O(CCHH)(H)	C(CC[3x5,6]HH)(OH)(H)2	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(CHHO)(H)2	O(CCHH)(H)	110.7445	1.957	2	110.7445	3.828	2	110.7445	3.828	2	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[3x6]HH)(OH)(H)2	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	O(CCHH)(H)	C(CC[3x6]HH)(OH)(H)2	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	O(CCHH)(H)	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[4,5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[4,5]HH)(OH)(H)2	C(C[4,5]C[4,5]C[4]C[5])(CHHO)(H)2	O(CCHH)(H)	C(CC[4,5]HH)(OH)(H)2	C(C[4,5]C[4,5]C[4]C[5])(CHHO)(H)2	O(CCHH)(H)	112.2700	0.000	1	112.2700	0.000	1	112.2700	0.000	1	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5,5]HH)(OH)(H)2	C(C[5,5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	O(CCHH)(H)	C(CC[5,5]HH)(OH)(H)2	C(C[5,5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	O(CCHH)(H)	114.4410	0.000	1	114.4410	0.000	1	114.4410	0.000	1	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5,6]HH)(OH)(H)2	C(C[5,6]O[5,6]C[6]O[5])(CHHO)(H)2	O(CCHH)(H)	C(CC[5,6]HH)(OH)(H)2	C(C[5,6]O[5,6]C[6]O[5])(CHHO)(H)2	O(CCHH)(H)	113.0710	0.000	1	113.0710	0.000	1	113.0710	0.000	1	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,5]C[5]H)(CHHO)(H)2	O(CCHH)(H)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,5]C[5]H)(CHHO)(H)2	O(CCHH)(H)	112.6977	1.498	4	112.6977	2.245	4	111.0928	3.034	18	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	O(CCHH)(H)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	O(CCHH)(H)	111.1755	2.524	2	111.1755	6.369	2	111.0928	3.034	18	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,6a]2C)(CHHO)(H)2	O(CCHH)(H)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,6a]2C)(CHHO)(H)2	O(CCHH)(H)	110.3830	1.980	2	110.3830	3.920	2	111.0928	3.034	18	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	O(CCHH)(H)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	O(CCHH)(H)	111.8500	0.000	1	111.8500	0.000	1	111.0928	3.034	18	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(H)2	O(CCHH)(H)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(H)2	O(CCHH)(H)	112.5250	0.354	2	112.5250	0.125	2	111.0928	3.034	18	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2O)(CHHO)(H)2	O(CCHH)(H)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2O)(CHHO)(H)2	O(CCHH)(H)	110.5130	0.000	1	110.5130	0.000	1	111.0928	3.034	18	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2Ru)(CHHO)(H)2	O(CCHH)(H)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2Ru)(CHHO)(H)2	O(CCHH)(H)	109.4580	0.290	3	109.4580	0.084	3	111.0928	3.034	18	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]O[5]C)(CHHO)(H)2	O(CCHH)(H)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]O[5]C)(CHHO)(H)2	O(CCHH)(H)	111.7430	0.000	1	111.7430	0.000	1	111.0928	3.034	18	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	O(CCHH)(H)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	O(CCHH)(H)	109.1160	1.291	2	109.1160	1.667	2	111.0928	3.034	18	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6,6]HH)(OH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	O(CCHH)(H)	C(CC[6,6]HH)(OH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	O(CCHH)(H)	113.1420	1.411	4	113.1420	1.990	4	111.9087	4.923	6	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6,6]HH)(OH)(H)2	C(C[6,6]C[6,6]C[6]2)(CHHO)(H)2	O(CCHH)(H)	C(CC[6,6]HH)(OH)(H)2	C(C[6,6]C[6,6]C[6]2)(CHHO)(H)2	O(CCHH)(H)	109.0000	0.000	1	109.0000	0.000	1	111.9087	4.923	6	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6,6]HH)(OH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHO)(H)2	O(CCHH)(H)	C(CC[6,6]HH)(OH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHO)(H)2	O(CCHH)(H)	109.8840	0.000	1	109.8840	0.000	1	111.9087	4.923	6	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(OH)(H)2	C(C[6]C[5,6]C[6,6]H)(CHHO)(H)2	O(CCHH)(H)	C(CC[6]HH)(OH)(H)2	C(C[6]C[5,6]C[6,6]H)(CHHO)(H)2	O(CCHH)(H)	113.4610	0.000	1	113.4610	0.000	1	110.8104	3.996	27	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(OH)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	O(CCHH)(H)	C(CC[6]HH)(OH)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	O(CCHH)(H)	110.7140	0.000	1	110.7140	0.000	1	110.8104	3.996	27	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]2C)(CHHO)(H)2	O(CCHH)(H)	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]2C)(CHHO)(H)2	O(CCHH)(H)	110.0574	1.725	14	110.0574	2.975	14	110.8104	3.996	27	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	O(CCHH)(H)	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	O(CCHH)(H)	112.1344	1.940	7	112.1344	3.763	7	110.8104	3.996	27	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]N[6]H)(CHHO)(H)2	O(CCHH)(H)	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]N[6]H)(CHHO)(H)2	O(CCHH)(H)	108.7740	1.718	2	108.7740	2.952	2	110.8104	3.996	27	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	O(CCHH)(H)	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	O(CCHH)(H)	112.2065	0.503	2	112.2065	0.253	2	110.8104	3.996	27	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NC[6]CH)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NC[6]CH)(CHHO)(H)2	O(CCHH)(H)	111.9100	0.000	1	111.9100	0.000	1	110.3275	8.547	61	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NCoCC)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NCoCC)(CHHO)(H)2	O(CCHH)(H)	107.2587	2.887	6	107.2587	8.334	6	110.3275	8.547	61	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NCoCH)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NCoCH)(CHHO)(H)2	O(CCHH)(H)	111.4703	2.764	6	111.4703	7.638	6	110.3275	8.547	61	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NCrCH)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NCrCH)(CHHO)(H)2	O(CCHH)(H)	110.0290	3.301	6	110.0290	10.895	6	110.3275	8.547	61	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NFeCC)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NFeCC)(CHHO)(H)2	O(CCHH)(H)	110.4992	3.082	14	110.4992	9.499	14	110.3275	8.547	61	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NMnCH)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NMnCH)(CHHO)(H)2	O(CCHH)(H)	109.1050	0.000	1	109.1050	0.000	1	110.3275	8.547	61	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NMoCC)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NMoCC)(CHHO)(H)2	O(CCHH)(H)	106.7970	0.000	1	106.7970	0.000	1	110.3275	8.547	61	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NNiCC)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NNiCC)(CHHO)(H)2	O(CCHH)(H)	111.5657	2.764	11	111.5657	7.638	11	110.3275	8.547	61	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NNiCH)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NNiCH)(CHHO)(H)2	O(CCHH)(H)	110.4857	2.788	4	110.4857	7.771	4	110.3275	8.547	61	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NPdCC)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NPdCC)(CHHO)(H)2	O(CCHH)(H)	110.1730	0.000	1	110.1730	0.000	1	110.3275	8.547	61	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NPtHH)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NPtHH)(CHHO)(H)2	O(CCHH)(H)	113.1430	0.000	1	113.1430	0.000	1	110.3275	8.547	61	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NReCC)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NReCC)(CHHO)(H)2	O(CCHH)(H)	112.1905	3.538	2	112.1905	12.515	2	110.3275	8.547	61	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NReCH)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NReCH)(CHHO)(H)2	O(CCHH)(H)	108.6160	0.000	1	108.6160	0.000	1	110.3275	8.547	61	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NZnCC)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NZnCC)(CHHO)(H)2	O(CCHH)(H)	106.3870	0.000	1	106.3870	0.000	1	110.3275	8.547	61	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(OH)(H)2	C(NZnCH)(CHHO)(H)2	O(CCHH)(H)	C(CHHN)(OH)(H)2	C(NZnCH)(CHHO)(H)2	O(CCHH)(H)	110.1530	1.628	5	110.1530	2.650	5	110.3275	8.547	61	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(OH)(H)2	C(N[5]C[5]2H)(CHHO)(H)2	O(CCHH)(H)	C(CN[5]HH)(OH)(H)2	C(N[5]C[5]2H)(CHHO)(H)2	O(CCHH)(H)	112.6992	0.881	6	112.6992	0.777	6	112.6992	0.777	6	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CN[6,6]HH)(OH)(H)2	C(N[6,6]C[6,6]C[6]2)(CHHO)(H)2	O(CCHH)(H)	C(CN[6,6]HH)(OH)(H)2	C(N[6,6]C[6,6]C[6]2)(CHHO)(H)2	O(CCHH)(H)	109.6530	0.000	1	109.6530	0.000	1	109.6530	0.000	1	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(OH)(H)2	C(N[6]C[6]2C)(CHHO)(H)2	O(CCHH)(H)	C(CN[6]HH)(OH)(H)2	C(N[6]C[6]2C)(CHHO)(H)2	O(CCHH)(H)	109.6947	3.768	3	109.6947	14.196	3	109.7313	6.886	14	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(OH)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	O(CCHH)(H)	C(CN[6]HH)(OH)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	O(CCHH)(H)	109.7413	2.472	11	109.7413	6.112	11	109.7313	6.886	14	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHP)(OH)(H)2	C(PC[6a]2Fe)(CHHO)(H)2	O(CCHH)(H)	C(CHHP)(OH)(H)2	C(PC[6a]2Fe)(CHHO)(H)2	O(CCHH)(H)	112.0760	0.000	1	112.0760	0.000	1	112.0760	0.000	1	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CP[5]HH)(OH)(H)2	C(P[5]C[5,6a]C[6a]C[5])(CHHO)(H)2	O(CCHH)(H)	C(CP[5]HH)(OH)(H)2	C(P[5]C[5,6a]C[6a]C[5])(CHHO)(H)2	O(CCHH)(H)	107.2860	0.843	2	107.2860	0.710	2	107.2860	0.710	2	111.2905	13.612	643	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:2:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CC)	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CC)	110.9900	0.000	1	110.9900	0.000	1	110.9900	0.000	1	107.4730	5.610	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:2:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:	C(CCHH)(OO)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(OH)	C(CCHH)(OO)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(OH)	106.3007	0.412	3	106.3007	0.169	3	106.3007	0.169	3	107.4730	5.610	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:N-3:	C(CCFF)(ON)(H)2	C(CCFF)(CHHO)(F)2	O(CCHH)(NOO)	C(CCFF)(ON)(H)2	C(CCFF)(CHHO)(F)2	O(CCHH)(NOO)	103.5510	0.000	1	103.5510	0.000	1	103.5510	0.000	1	111.6816	18.395	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:	C(CCHH)(ON)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(NCH)	C(CCHH)(ON)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(NCH)	113.9665	0.609	2	113.9665	0.371	2	111.6055	10.831	8	111.6816	18.395	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:	C(CCHH)(ON)(H)2	C(CCoHH)(CHHO)(H)2	O(CCHH)(NCoC)	C(CCHH)(ON)(H)2	C(CCoHH)(CHHO)(H)2	O(CCHH)(NCoC)	113.6210	1.121	3	113.6210	1.258	3	111.6055	10.831	8	111.6816	18.395	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:	C(CCHH)(ON)(H)2	C(CHHO)2(H)2	O(CCHH)(NHH)	C(CCHH)(ON)(H)2	C(CHHO)2(H)2	O(CCHH)(NHH)	106.6230	0.000	1	106.6230	0.000	1	111.6055	10.831	8	111.6816	18.395	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:	C(CCHH)(ON)(H)2	C(CHHO)2(H)2	O(CCHH)(NHS)	C(CCHH)(ON)(H)2	C(CHHO)2(H)2	O(CCHH)(NHS)	108.7125	2.833	2	108.7125	8.028	2	111.6055	10.831	8	111.6816	18.395	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:N-3:	C(CHHO)(ON)(H)2	C(CHHO)(ONi3)(H)2	O(CCHH)(NNiC)	C(CHHO)(ON)(H)2	C(CHHO)(ONi3)(H)2	O(CCHH)(NNiC)	116.0515	1.948	2	116.0515	3.795	2	116.0515	3.795	2	111.6816	18.395	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:	C(CBrCH)(OC)(H)2	C(CCHO)(CHHO)(Br)(H)	O(CCHH)2	C(CBrCH)(OC)(H)2	C(CCHO)(CHHO)(Br)(H)	O(CCHH)2	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:Si-4:	C(CBrCH)(OSi)(H)2	C(CC[6a]HN)(CHHO)(Br)(H)	O(CCHH)(SiC3)	C(CBrCH)(OSi)(H)2	C(CC[6a]HN)(CHHO)(Br)(H)	O(CCHH)(SiC3)	110.9440	0.000	2	110.9440	0.000	2	110.9440	0.000	2	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	S-4:C-4:	C(CBrCH)(OS)(H)2	C(CCHN)(CHHO)(Br)(H)	O(SC[6a]OO)(CCHH)	C(CBrCH)(OS)(H)2	C(CCHN)(CHHO)(Br)(H)	O(SC[6a]OO)(CCHH)	105.3230	0.000	1	105.3230	0.000	1	105.3230	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:	C(CClCH)(OC)(H)2	C(CBrCC)(CHHO)(Cl)(H)	O(CCHH)(CCHO)	C(CClCH)(OC)(H)2	C(CBrCC)(CHHO)(Cl)(H)	O(CCHH)(CCHO)	108.5980	0.000	1	108.5980	0.000	1	106.8880	5.848	2	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:	C(CClCH)(OC)(H)2	C(CClCH)(CHHO)(Cl)(H)	O(CC[6a]HH)(CCHH)	C(CClCH)(OC)(H)2	C(CClCH)(CHHO)(Cl)(H)	O(CC[6a]HH)(CCHH)	105.1780	0.000	1	105.1780	0.000	1	106.8880	5.848	2	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:C-4:	C(CCFF)(OC)(H)2	C(CClFF)(CHHO)(F)2	O(CC[6]HH)(CCHH)	C(CCFF)(OC)(H)2	C(CClFF)(CHHO)(F)2	O(CC[6]HH)(CCHH)	109.4760	0.000	1	109.4760	0.000	1	106.9890	1.952	7	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:C-4:	C(CCFF)(OC)(H)2	C(CFFH)(CHHO)(F)2	O(CC[6]HH)(CCHH)	C(CCFF)(OC)(H)2	C(CFFH)(CHHO)(F)2	O(CC[6]HH)(CCHH)	106.4182	0.970	5	106.4182	0.940	5	106.9890	1.952	7	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:C-4:	C(CCFF)(OC)(H)2	C(CHHO)(CF3)(F)2	O(CC[6]HH)(CCHH)	C(CCFF)(OC)(H)2	C(CHHO)(CF3)(F)2	O(CC[6]HH)(CCHH)	107.3560	0.000	1	107.3560	0.000	1	106.9890	1.952	7	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:P-4:	C(CCFF)(OP)(H)2	C(CCFF)(CHHO)(F)2	O(CCHH)(PNNO)	C(CCFF)(OP)(H)2	C(CCFF)(CHHO)(F)2	O(CCHH)(PNNO)	108.8520	0.776	2	108.8520	0.603	2	108.8520	0.603	2	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:H-1:	S-4:C-4:	C(CCFH)(OS)(H)2	C(CCFH)(CHHO)(F)(H)	O(SC[6a]OO)(CCHH)	C(CCFH)(OS)(H)2	C(CCFH)(CHHO)(F)(H)	O(SC[6a]OO)(CCHH)	105.7640	0.000	1	105.7640	0.000	1	105.7640	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	B-4:C-4:	C(CCHH)(OB)(H)2	C(CCHH)(CHHO)(H)2	O(BC[6a]3)(CCHH)	C(CCHH)(OB)(H)2	C(CCHH)(CHHO)(H)2	O(BC[6a]3)(CCHH)	109.9016	1.269	11	109.9016	1.610	11	109.9016	1.610	11	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CCCH)(CHHO)(H)2	O(CCHH)2	C(CCHH)(OC)(H)2	C(CCCH)(CHHO)(H)2	O(CCHH)2	114.3520	0.000	1	114.3520	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CCCH)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CCHH)(OC)(H)2	C(CCCH)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	107.3690	0.000	1	107.3690	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCCH)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCCH)(CCHH)	110.4370	3.900	4	110.4370	15.211	4	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CC3)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CC3)	111.2030	0.000	1	111.2030	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CCHN)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CCHN)	107.4540	0.000	1	107.4540	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CCHO)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(CCHO)	109.1990	0.000	1	109.1990	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)2	110.4269	3.116	29	110.4269	9.711	29	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[5,6]HH)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[5,6]HH)(CCHH)	109.9320	0.000	1	109.9320	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[6]HH)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[6]HH)(CCHH)	111.7507	2.639	6	111.7507	6.965	6	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[6a]2H)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[6a]2H)(CCHH)	109.3360	0.000	1	109.3360	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[6a]CH)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[6a]CH)(CCHH)	109.8970	0.000	1	109.8970	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	110.6356	2.607	16	110.6356	6.797	16	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CPt2C)(CCHH)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	O(CPt2C)(CCHH)	110.3393	4.229	3	110.3393	17.888	3	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	O(CCHH)2	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	O(CCHH)2	111.1145	4.653	2	111.1145	21.655	2	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	109.4120	0.000	1	109.4120	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CC[3x6]HH)(CHHO)(H)2	O(CCHH)(CH3)	C(CCHH)(OC)(H)2	C(CC[3x6]HH)(CHHO)(H)2	O(CCHH)(CH3)	109.4350	0.805	2	109.4350	0.648	2	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CC[5,6]HH)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CCHH)(OC)(H)2	C(CC[5,6]HH)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	109.3000	1.277	2	109.3000	1.631	2	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CCHH)(CH3)	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CCHH)(CH3)	108.9730	0.000	1	108.9730	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	107.3060	0.000	1	107.3060	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CC[5]HO)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CCHH)(OC)(H)2	C(CC[5]HO)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	107.2140	0.000	1	107.2140	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CC[5a]HH)(CHHO)(H)2	O(CCHH)2	C(CCHH)(OC)(H)2	C(CC[5a]HH)(CHHO)(H)2	O(CCHH)2	110.4285	1.743	2	110.4285	3.038	2	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	O(CCHH)2	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	O(CCHH)2	112.7667	3.642	6	112.7667	13.261	6	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	107.0060	0.000	1	107.0060	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CC[6a]C[5]H)(CHHO)(H)2	O(CCHH)(CH3)	C(CCHH)(OC)(H)2	C(CC[6a]C[5]H)(CHHO)(H)2	O(CCHH)(CH3)	109.3000	0.000	1	109.3000	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(CCHH)2	C(CCHH)(OC)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(CCHH)2	112.1780	0.000	1	112.1780	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CCHH)(OC)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	112.5182	3.056	6	112.5182	9.337	6	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(CN[6a]HH)(CCHH)	C(CCHH)(OC)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(CN[6a]HH)(CCHH)	107.6600	0.000	1	107.6600	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	O(CCHH)(CH3)	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	O(CCHH)(CH3)	108.6412	0.811	16	108.6412	0.658	16	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	O(CCHH)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	O(CCHH)2	109.4424	1.629	14	109.4424	2.654	14	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	O(CN[6a]CH)(CCHH)	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	O(CN[6a]CH)(CCHH)	113.7440	0.000	1	113.7440	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CCHO)	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)(CCHO)	108.3515	1.562	2	108.3515	2.440	2	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)2	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	O(CCHH)2	108.7480	0.955	2	108.7480	0.911	2	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CHHP)(H)2	O(CCHH)(CH3)	C(CCHH)(OC)(H)2	C(CHHO)(CHHP)(H)2	O(CCHH)(CH3)	108.7690	2.362	20	108.7690	5.577	20	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	O(CCHH)2	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	O(CCHH)2	109.6180	0.495	2	109.6180	0.245	2	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	O(CC[5a]HH)(CCHH)	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	O(CC[5a]HH)(CCHH)	108.8775	0.194	2	108.8775	0.038	2	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CN[5]HH)(CHHO)(H)2	O(CCHH)(CH3)	C(CCHH)(OC)(H)2	C(CN[5]HH)(CHHO)(H)2	O(CCHH)(CH3)	110.9963	4.489	3	110.9963	20.155	3	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CN[6]HH)(CHHO)(H)2	O(CCHH)(CH3)	C(CCHH)(OC)(H)2	C(CN[6]HH)(CHHO)(H)2	O(CCHH)(CH3)	110.6827	1.562	3	110.6827	2.439	3	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CN[6]HH)(CHHO)(H)2	O(CCHH)2	C(CCHH)(OC)(H)2	C(CN[6]HH)(CHHO)(H)2	O(CCHH)2	109.2695	0.569	2	109.2695	0.324	2	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(H)2	C(CN[6a]HH)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CCHH)(OC)(H)2	C(CN[6a]HH)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	108.4460	0.000	1	108.4460	0.000	1	109.9918	6.942	162	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:	C(CCHH)(ON)(H)2	C(CHHO)2(H)2	O(CCHH)(NCHH)	C(CCHH)(ON)(H)2	C(CHHO)2(H)2	O(CCHH)(NCHH)	106.9485	3.008	6	106.9485	9.047	6	106.9485	9.047	6	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(PO3)	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(PO3)	109.8800	1.900	6	109.8800	3.609	6	110.8934	15.143	11	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(POSS)	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(POSS)	121.4190	0.000	1	121.4190	0.000	1	110.8934	15.143	11	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:	C(CCHH)(OP)(H)2	C(CHHO)2(H)2	O(CCHH)(PFNN)	C(CCHH)(OP)(H)2	C(CHHO)2(H)2	O(CCHH)(PFNN)	111.8650	0.000	1	111.8650	0.000	1	110.8934	15.143	11	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:	C(CCHH)(OP)(H)2	C(CSiHH)(CHHO)(H)2	O(CCHH)(PCOO)	C(CCHH)(OP)(H)2	C(CSiHH)(CHHO)(H)2	O(CCHH)(PCOO)	109.0877	1.689	3	109.0877	2.851	3	110.8934	15.143	11	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:	C(CCHH)(OS)(H)2	C(CCFH)(CHHO)(H)2	O(CCHH)(SNOO)	C(CCHH)(OS)(H)2	C(CCFH)(CHHO)(H)2	O(CCHH)(SNOO)	107.2290	0.000	1	107.2290	0.000	1	108.9912	3.369	10	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:	C(CCHH)(OS)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(SNOO)	C(CCHH)(OS)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(SNOO)	112.4800	0.000	1	112.4800	0.000	1	108.9912	3.369	10	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:	C(CCHH)(OS)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(SO3)	C(CCHH)(OS)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(SO3)	108.9350	0.424	2	108.9350	0.180	2	108.9912	3.369	10	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:	C(CCHH)(OS)(H)2	C(CCHO)(CHHO)(H)2	O(CCHH)(SNOO)	C(CCHH)(OS)(H)2	C(CCHO)(CHHO)(H)2	O(CCHH)(SNOO)	109.7190	0.820	4	109.7190	0.672	4	108.9912	3.369	10	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:	C(CCHH)(OS)(H)2	C(CC[6a]CH)(CHHO)(H)2	O(CCHH)(SCOO)	C(CCHH)(OS)(H)2	C(CC[6a]CH)(CHHO)(H)2	O(CCHH)(SCOO)	107.2210	0.000	1	107.2210	0.000	1	108.9912	3.369	10	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:	C(CCHH)(OS)(H)2	C(CC[6a]C[5]H)(CHHO)(H)2	O(CCHH)(SCOO)	C(CCHH)(OS)(H)2	C(CC[6a]C[5]H)(CHHO)(H)2	O(CCHH)(SCOO)	106.2360	0.000	1	106.2360	0.000	1	108.9912	3.369	10	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(CCHH)(OSi)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(SiC3)	C(CCHH)(OSi)(H)2	C(CCHH)(CHHO)(H)2	O(CCHH)(SiC3)	111.3927	1.353	3	111.3927	1.831	3	110.4690	1.255	10	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(CCHH)(OSi)(H)2	C(CCHN)(CHHO)(H)2	O(CCHH)(SiC3)	C(CCHH)(OSi)(H)2	C(CCHN)(CHHO)(H)2	O(CCHH)(SiC3)	109.0000	0.000	1	109.0000	0.000	1	110.4690	1.255	10	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(CCHH)(OSi)(H)2	C(CC[4]HH)(CHHO)(H)2	O(CCHH)(SiC3)	C(CCHH)(OSi)(H)2	C(CC[4]HH)(CHHO)(H)2	O(CCHH)(SiC3)	109.7640	0.000	1	109.7640	0.000	1	110.4690	1.255	10	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(CCHH)(OSi)(H)2	C(CC[5,6]HH)(CHHO)(H)2	O(CCHH)(SiC3)	C(CCHH)(OSi)(H)2	C(CC[5,6]HH)(CHHO)(H)2	O(CCHH)(SiC3)	110.5185	0.770	4	110.5185	0.592	4	110.4690	1.255	10	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(CCHH)(OSi)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CCHH)(SiC3)	C(CCHH)(OSi)(H)2	C(CC[5]HH)(CHHO)(H)2	O(CCHH)(SiC3)	109.6740	0.000	1	109.6740	0.000	1	110.4690	1.255	10	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	Ge-4:C-4:	C(CCHH)(OGe)(H)2	C(CCHH)(CHHO)(H)2	O(GeNNO)(CCHH)	C(CCHH)(OGe)(H)2	C(CCHH)(CHHO)(H)2	O(GeNNO)(CCHH)	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	N-4:C-4:	C(CCHH)(ON)(H)2	C(CHHO)2(H)2	O(NZnCH)(CCHH)	C(CCHH)(ON)(H)2	C(CHHO)2(H)2	O(NZnCH)(CCHH)	106.8820	1.420	2	106.8820	2.016	2	106.8820	2.016	2	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(PC[6a]3)(CCHH)	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(PC[6a]3)(CCHH)	107.3370	0.134	2	107.3370	0.018	2	110.6429	30.991	47	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(PC[6a]SS)(CCHH)	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(PC[6a]SS)(CCHH)	109.1662	3.109	9	109.1662	9.666	9	110.6429	30.991	47	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(PC[6a]Se2)(CCHH)	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(PC[6a]Se2)(CCHH)	107.2226	1.153	5	107.2226	1.329	5	110.6429	30.991	47	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(PFe2O)(CCHH)	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(PFe2O)(CCHH)	109.2540	0.000	1	109.2540	0.000	1	110.6429	30.991	47	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(PPtOO)(CCHH)	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(PPtOO)(CCHH)	110.7355	2.484	15	110.7355	6.170	15	110.6429	30.991	47	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CCHH)(OP)(H)2	C(CC[6]HH)(CHHO)(H)2	O(PRuCC)(CCHH)	C(CCHH)(OP)(H)2	C(CC[6]HH)(CHHO)(H)2	O(PRuCC)(CCHH)	110.5810	0.000	1	110.5810	0.000	1	110.6429	30.991	47	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CCHH)(OP)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(PRuCC)(CCHH)	C(CCHH)(OP)(H)2	C(CC[6a]HH)(CHHO)(H)2	O(PRuCC)(CCHH)	108.3060	0.000	1	108.3060	0.000	1	110.6429	30.991	47	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CCHH)(OP)(H)2	C(CHHN)(CHHO)(H)2	O(PC[6a]2S)(CCHH)	C(CCHH)(OP)(H)2	C(CHHN)(CHHO)(H)2	O(PC[6a]2S)(CCHH)	107.6180	0.000	1	107.6180	0.000	1	110.6429	30.991	47	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CCHH)(OP)(H)2	C(CHHO)(CH3)(H)2	O(PC[6a]SS)(CCHH)	C(CCHH)(OP)(H)2	C(CHHO)(CH3)(H)2	O(PC[6a]SS)(CCHH)	110.1885	1.609	2	110.1885	2.588	2	110.6429	30.991	47	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CCHH)(OP)(H)2	C(CHHO)(CH3)(H)2	O(PSe2O)(CCHH)	C(CCHH)(OP)(H)2	C(CHHO)(CH3)(H)2	O(PSe2O)(CCHH)	125.5255	8.221	4	125.5255	67.590	4	110.6429	30.991	47	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CCHH)(OP)(H)2	C(CHHO)2(H)2	O(PC[6a]2Fe)(CCHH)	C(CCHH)(OP)(H)2	C(CHHO)2(H)2	O(PC[6a]2Fe)(CCHH)	108.9310	0.242	2	108.9310	0.058	2	110.6429	30.991	47	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CCHH)(OP)(H)2	C(CHHO)2(H)2	O(PC[6a]Se2)(CCHH)	C(CCHH)(OP)(H)2	C(CHHO)2(H)2	O(PC[6a]Se2)(CCHH)	107.2320	1.129	2	107.2320	1.274	2	110.6429	30.991	47	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CCHH)(OP)(H)2	C(CHHO)2(H)2	O(PNiCC)(CCHH)	C(CCHH)(OP)(H)2	C(CHHO)2(H)2	O(PNiCC)(CCHH)	107.6685	0.042	2	107.6685	0.002	2	110.6429	30.991	47	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:	C(CCHH)(OS)(H)2	C(CCHH)(CHHO)(H)2	O(SC[6a]OO)(CCHH)	C(CCHH)(OS)(H)2	C(CCHH)(CHHO)(H)2	O(SC[6a]OO)(CCHH)	106.6897	2.128	3	106.6897	4.530	3	107.5177	2.885	8	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:	C(CCHH)(OS)(H)2	C(CC[5]HO)(CHHO)(H)2	O(SN[5]OO)(CCHH)	C(CCHH)(OS)(H)2	C(CC[5]HO)(CHHO)(H)2	O(SN[5]OO)(CCHH)	110.3150	0.000	1	110.3150	0.000	1	107.5177	2.885	8	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:	C(CCHH)(OS)(H)2	C(CHHO)(CH3)(H)2	O(SPdOO)(CCHH)	C(CCHH)(OS)(H)2	C(CHHO)(CH3)(H)2	O(SPdOO)(CCHH)	107.9540	0.000	1	107.9540	0.000	1	107.5177	2.885	8	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:	C(CCHH)(OS)(H)2	C(CHHO)2(H)2	O(SC[6a]OO)(CCHH)	C(CCHH)(OS)(H)2	C(CHHO)2(H)2	O(SC[6a]OO)(CCHH)	107.2680	0.661	3	107.2680	0.437	3	107.5177	2.885	8	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	Si-4:C-4:	C(CCHH)(OSi)(H)2	C(CCHH)(CHHO)(H)2	O(SiCCN)(CCHH)	C(CCHH)(OSi)(H)2	C(CCHH)(CHHO)(H)2	O(SiCCN)(CCHH)	110.9380	0.000	1	110.9380	0.000	1	111.7690	4.047	5	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	Si-4:C-4:	C(CCHH)(OSi)(H)2	C(CCHH)(CHHO)(H)2	O(SiC[6a]2C)(CCHH)	C(CCHH)(OSi)(H)2	C(CCHH)(CHHO)(H)2	O(SiC[6a]2C)(CCHH)	111.9767	2.260	4	111.9767	5.109	4	111.7690	4.047	5	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:C-4:	C(CCHI)(OC)(H)2	C(CN[4]HH)(CHHO)(H)(I)	O(CC[4]HH)(CCHH)	C(CCHI)(OC)(H)2	C(CN[4]HH)(CHHO)(H)(I)	O(CC[4]HH)(CCHH)	112.6200	0.000	1	112.6200	0.000	1	112.6200	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:O-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CHHO)2(H)(O)	O(CCHH)2	C(CCHO)(OC)(H)2	C(CHHO)2(H)(O)	O(CCHH)2	107.6020	0.000	1	107.6020	0.000	1	107.6020	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NC3)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(CHHO)(NC3)(H)2	O(CCHH)2	109.0123	1.987	6	109.0123	3.948	6	108.5822	6.573	133	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CCHH)(CH3)	108.6578	2.150	6	108.6578	4.622	6	108.5822	6.573	133	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CCHH)2	108.6084	2.998	59	108.6084	8.988	59	108.5822	6.573	133	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CC[6a]2C)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CC[6a]2C)(CCHH)	109.6420	0.000	1	109.6420	0.000	1	108.5822	6.573	133	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CC[6a]2H)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CC[6a]2H)(CCHH)	108.6854	0.407	5	108.6854	0.165	5	108.5822	6.573	133	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CC[6a]C[6]C)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CC[6a]C[6]C)(CCHH)	105.0685	0.889	2	105.0685	0.790	2	108.5822	6.573	133	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CC[6a]C[6]H)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	O(CC[6a]C[6]H)(CCHH)	106.0960	0.000	1	106.0960	0.000	1	108.5822	6.573	133	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCHH)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(CHHO)(NCHH)(H)2	O(CCHH)2	108.8618	2.677	33	108.8618	7.167	33	108.5822	6.573	133	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NH3)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(CHHO)(NH3)(H)2	O(CCHH)(CH3)	108.8212	2.198	4	108.8212	4.830	4	108.5822	6.573	133	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NH3)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(CHHO)(NH3)(H)2	O(CCHH)2	108.1561	1.173	15	108.1561	1.375	15	108.5822	6.573	133	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NH3)(H)2	O(CC[6]HH)(CCHH)	C(CHHN)(OC)(H)2	C(CHHO)(NH3)(H)2	O(CC[6]HH)(CCHH)	108.1400	0.000	1	108.1400	0.000	1	108.5822	6.573	133	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:P-4:	C(CHHN)(OP)(H)2	C(CHHO)(NC3)(H)2	O(CCHH)(PCOO)	C(CHHN)(OP)(H)2	C(CHHO)(NC3)(H)2	O(CCHH)(PCOO)	113.8293	2.581	3	113.8293	6.659	3	112.3683	5.401	6	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:P-4:	C(CHHN)(OP)(H)2	C(CHHO)(NC3)(H)2	O(CCHH)(PO3)	C(CHHN)(OP)(H)2	C(CHHO)(NC3)(H)2	O(CCHH)(PO3)	110.9073	0.663	3	110.9073	0.439	3	112.3683	5.401	6	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:Si-4:	C(CHHN)(OSi)(H)2	C(CHHO)(NCHH)(H)2	O(CCHH)(SiC3)	C(CHHN)(OSi)(H)2	C(CHHO)(NCHH)(H)2	O(CCHH)(SiC3)	107.1930	0.000	1	107.1930	0.000	1	107.1930	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	S-4:C-4:	C(CHHN)(OS)(H)2	C(CHHO)(NC3)(H)2	O(SC[6a]OO)(CCHH)	C(CHHN)(OS)(H)2	C(CHHO)(NC3)(H)2	O(SC[6a]OO)(CCHH)	103.8420	0.000	1	103.8420	0.000	1	103.8420	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	Si-4:C-4:	C(CHHN)(OSi)(H)2	C(CHHO)(NCCH)(H)2	O(SiSiOO)(CCHH)	C(CHHN)(OSi)(H)2	C(CHHO)(NCCH)(H)2	O(SiSiOO)(CCHH)	115.9824	1.398	9	115.9824	1.956	9	115.9824	1.956	9	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:	C(CHHP)(OC)(H)2	C(CHHO)(PBCC)(H)2	O(CCHH)2	C(CHHP)(OC)(H)2	C(CHHO)(PBCC)(H)2	O(CCHH)2	107.8720	1.033	4	107.8720	1.066	4	107.8720	1.066	4	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	O(CN[5]HH)(CCHH)	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	O(CN[5]HH)(CCHH)	109.1830	0.000	1	109.1830	0.000	1	108.7710	0.251	3	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	O(CN[5a]HH)(CCHH)	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	O(CN[5a]HH)(CCHH)	108.2140	0.000	1	108.2140	0.000	1	108.7710	0.251	3	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	O(CN[6a]HH)(CCHH)	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	O(CN[6a]HH)(CCHH)	108.9160	0.000	1	108.9160	0.000	1	108.7710	0.251	3	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C[5]-4:C-4:	C(CSiHH)(OC[5])(H)2	C(CHHO)(SiC3)(H)2	O(C[5]C[5,6]O[5]H)(CCHH)	C(CSiHH)(OC[5])(H)2	C(CHHO)(SiC3)(H)2	O(C[5]C[5,6]O[5]H)(CCHH)	113.0260	0.000	2	113.0260	0.000	2	113.0260	0.000	2	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C[6]-4:C-4:	C(CSiHH)(OC[6])(H)2	C(CHHO)(SiC3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(CSiHH)(OC[6])(H)2	C(CHHO)(SiC3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	108.4505	0.278	2	108.4505	0.077	2	108.4505	0.077	2	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:S-4:	C(CC[3,5]HH)(OS)(H)2	C(C[3,5]C[3,5,6]C[3,6]C[5])(CHHO)(H)2	O(CCHH)(SNOO)	C(CC[3,5]HH)(OS)(H)2	C(C[3,5]C[3,5,6]C[3,6]C[5])(CHHO)(H)2	O(CCHH)(SNOO)	115.0250	0.000	1	115.0250	0.000	1	115.0250	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:S-4:	C(CC[3,6]HH)(OS)(H)2	C(C[3,6]C[3,6]C[3]C[6])(CHHO)(H)2	O(CCHH)(SNOO)	C(CC[3,6]HH)(OS)(H)2	C(C[3,6]C[3,6]C[3]C[6])(CHHO)(H)2	O(CCHH)(SNOO)	109.8345	0.890	2	109.8345	0.793	2	109.8345	0.793	2	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:S-4:	C(CC[3]HH)(OS)(H)2	C(C[3]C[3]2C)(CHHO)(H)2	O(CCHH)(SNOO)	C(CC[3]HH)(OS)(H)2	C(C[3]C[3]2C)(CHHO)(H)2	O(CCHH)(SNOO)	111.4400	0.000	1	111.4400	0.000	1	111.4850	0.004	2	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:S-4:	C(CC[3]HH)(OS)(H)2	C(C[3]C[3]2H)(CHHO)(H)2	O(CCHH)(SNOO)	C(CC[3]HH)(OS)(H)2	C(C[3]C[3]2H)(CHHO)(H)2	O(CCHH)(SNOO)	111.5300	0.000	1	111.5300	0.000	1	111.4850	0.004	2	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[3x6]HH)(OC)(H)2	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	O(CCHH)(CH3)	C(CC[3x6]HH)(OC)(H)2	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	O(CCHH)(CH3)	109.5610	0.000	1	109.5610	0.000	1	109.5610	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5,5,6]HH)(OC)(H)2	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CC[5,5,6]HH)(OC)(H)2	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CHHO)(H)2	O(CC[6a]HH)(CCHH)	107.1240	0.000	1	107.1240	0.000	1	107.1240	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(CC[5,5]HH)(OC[6])(H)2	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	O(C[6]C[6]2O)(CCHH)	C(CC[5,5]HH)(OC[6])(H)2	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	O(C[6]C[6]2O)(CCHH)	111.5120	0.318	2	111.5120	0.101	2	111.5120	0.101	2	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	S-4:C-4:	C(CC[5,5]HH)(OS)(H)2	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	O(SC[6a]OO)(CCHH)	C(CC[5,5]HH)(OS)(H)2	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	O(SC[6a]OO)(CCHH)	107.2140	0.000	1	107.2140	0.000	1	107.2140	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:Br-1:Br-1:	C-4:C-4:	C(CC[5]Br2)(OC)(H)2	C(C[5]C[5,6a]N[5]O)(CHHO)(Br)2	O(CCHH)(CH3)	C(CC[5]Br2)(OC)(H)2	C(C[5]C[5,6a]N[5]O)(CHHO)(Br)2	O(CCHH)(CH3)	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:C-4:	C(CC[5]BrH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(Br)(H)	O(CCHH)2	C(CC[5]BrH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(Br)(H)	O(CCHH)2	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:Cl-1:H-1:	C-4:C-4:	C(CC[5]ClH)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(Cl)(H)	O(CC[6a]HH)(CCHH)	C(CC[5]ClH)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(Cl)(H)	O(CC[6a]HH)(CCHH)	108.4580	0.000	1	108.4580	0.000	1	108.4580	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,5]C[5]C)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,5]C[5]C)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	108.4040	0.000	1	108.4040	0.000	1	109.4743	3.839	27	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	O(CCHH)(CHHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	O(CCHH)(CHHO)	107.2330	0.000	1	107.2330	0.000	1	109.4743	3.839	27	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2C)(CHHO)(H)2	O(CCHH)(CH3)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2C)(CHHO)(H)2	O(CCHH)(CH3)	110.4990	0.000	1	110.4990	0.000	1	109.4743	3.839	27	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2C)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2C)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	109.8260	0.119	2	109.8260	0.014	2	109.4743	3.839	27	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Co)(CHHO)(H)2	O(CCHH)2	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Co)(CHHO)(H)2	O(CCHH)2	108.5030	0.717	6	108.5030	0.514	6	109.4743	3.839	27	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	109.1780	1.109	2	109.1780	1.229	2	109.4743	3.839	27	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Ir)(CHHO)(H)2	O(CCHH)(CH3)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Ir)(CHHO)(H)2	O(CCHH)(CH3)	110.5120	2.999	3	110.5120	8.993	3	109.4743	3.839	27	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Rh)(CHHO)(H)2	O(CCHH)2	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Rh)(CHHO)(H)2	O(CCHH)2	107.2110	0.873	2	107.2110	0.761	2	109.4743	3.839	27	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Ti)(CHHO)(H)2	O(CCHH)(CH3)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Ti)(CHHO)(H)2	O(CCHH)(CH3)	108.3030	0.000	1	108.3030	0.000	1	109.4743	3.839	27	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Zr)(CHHO)(H)2	O(CCHH)(CH3)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Zr)(CHHO)(H)2	O(CCHH)(CH3)	114.5230	0.000	1	114.5230	0.000	1	109.4743	3.839	27	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]N[5]H)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]N[5]H)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	108.4440	0.000	1	108.4440	0.000	1	109.4743	3.839	27	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]O[5]C)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]O[5]C)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	109.0230	0.000	1	109.0230	0.000	1	109.4743	3.839	27	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	O(CCHH)2	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	O(CCHH)2	111.5695	0.016	2	111.5695	0.000	2	109.4743	3.839	27	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	110.4177	2.333	3	110.4177	5.445	3	109.4743	3.839	27	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:S-4:	C(CC[5]HH)(OS)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	O(CCHH)(SNOO)	C(CC[5]HH)(OS)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	O(CCHH)(SNOO)	113.2200	1.826	2	113.2200	3.333	2	113.2200	3.333	2	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:Si-4:	C(CC[5]HH)(OSi)(H)2	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	O(CCHH)(SiC3)	C(CC[5]HH)(OSi)(H)2	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	O(CCHH)(SiC3)	109.4960	0.181	2	109.4960	0.033	2	108.3594	0.530	13	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:Si-4:	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	O(CCHH)(SiC3)	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	O(CCHH)(SiC3)	107.6310	0.000	2	107.6310	0.000	2	108.3594	0.530	13	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:Si-4:	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5]2Mo)(CHHO)(H)2	O(CCHH)(SiC3)	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5]2Mo)(CHHO)(H)2	O(CCHH)(SiC3)	109.3800	0.000	1	109.3800	0.000	1	108.3594	0.530	13	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:Si-4:	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5]N[5]H)(CHHO)(H)2	O(CCHH)(SiC3)	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5]N[5]H)(CHHO)(H)2	O(CCHH)(SiC3)	108.1298	0.416	8	108.1298	0.173	8	108.3594	0.530	13	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	S-4:C-4:	C(CC[5]HH)(OS)(H)2	C(C[5]C[5,6a]2H)(CHHO)(H)2	O(SC[6a]OO)(CCHH)	C(CC[5]HH)(OS)(H)2	C(C[5]C[5,6a]2H)(CHHO)(H)2	O(SC[6a]OO)(CCHH)	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	Si-4:C-4:	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5,6]C[5]C)(CHHO)(H)2	O(SiC[6a]2C)(CCHH)	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5,6]C[5]C)(CHHO)(H)2	O(SiC[6a]2C)(CCHH)	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CHHO)(H)2	O(CCHH)(CH3)	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CHHO)(H)2	O(CCHH)(CH3)	109.2260	0.000	1	109.2260	0.000	1	108.2696	2.395	5	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]C[6,6]2C[5])(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]C[6,6]2C[5])(CHHO)(H)2	O(CC[6a]HH)(CCHH)	108.3005	2.833	2	108.3005	8.028	2	108.2696	2.395	5	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]C[6,6]2H)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]C[6,6]2H)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	107.5190	0.000	1	107.5190	0.000	1	108.2696	2.395	5	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]N[3x6]2H)(CHHO)(H)2	O(CCHH)(CH3)	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]N[3x6]2H)(CHHO)(H)2	O(CCHH)(CH3)	108.0020	0.000	1	108.0020	0.000	1	108.2696	2.395	5	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	O(CCCO)(CCHH)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	O(CCCO)(CCHH)	111.5893	0.683	3	111.5893	0.466	3	109.9735	4.346	15	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	O(CCHH)(CHHO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	O(CCHH)(CHHO)	109.1790	0.000	1	109.1790	0.000	1	109.9735	4.346	15	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	108.8990	0.000	1	108.8990	0.000	1	109.9735	4.346	15	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6a]C[6]O)(CHHO)(H)2	O(CCHH)2	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6a]C[6]O)(CHHO)(H)2	O(CCHH)2	112.0710	0.000	1	112.0710	0.000	1	109.9735	4.346	15	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	O(CCHH)2	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	O(CCHH)2	110.2330	3.358	4	110.2330	11.274	4	109.9735	4.346	15	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2Cr)(CHHO)(H)2	O(CCHH)2	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2Cr)(CHHO)(H)2	O(CCHH)2	107.7060	0.000	1	107.7060	0.000	1	109.9735	4.346	15	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	109.0118	0.992	4	109.0118	0.985	4	109.9735	4.346	15	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:P-4:	C(CC[6]HH)(OP)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	O(CCHH)(PO3)	C(CC[6]HH)(OP)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	O(CCHH)(PO3)	108.8970	1.540	2	108.8970	2.372	2	108.8970	2.372	2	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:Si-4:	C(CC[6]HH)(OSi)(H)2	C(C[6]C[5,6]C[6]N)(CHHO)(H)2	O(CCHH)(SiC3)	C(CC[6]HH)(OSi)(H)2	C(C[6]C[5,6]C[6]N)(CHHO)(H)2	O(CCHH)(SiC3)	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(CC[6]HH)(OC[6])(H)2	C(C[6]C[6]2H)(CHHO)(H)2	O(C[6]C[6a]C[6]2)(CCHH)	C(CC[6]HH)(OC[6])(H)2	C(C[6]C[6]2H)(CHHO)(H)2	O(C[6]C[6a]C[6]2)(CCHH)	111.3240	0.000	1	111.3240	0.000	1	111.3240	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	P-4:C-4:	C(CC[6]HH)(OP)(H)2	C(C[6]C[6]2Ru)(CHHO)(H)2	O(PRuCC)(CCHH)	C(CC[6]HH)(OP)(H)2	C(C[6]C[6]2Ru)(CHHO)(H)2	O(PRuCC)(CCHH)	111.7030	0.000	1	111.7030	0.000	1	111.7030	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	S-4:C-4:	C(CC[6]HH)(OS)(H)2	C(C[6]C[5a,6]C[6]H)(CHHO)(H)2	O(SC[6a]OO)(CCHH)	C(CC[6]HH)(OS)(H)2	C(C[6]C[5a,6]C[6]H)(CHHO)(H)2	O(SC[6a]OO)(CCHH)	106.0810	0.000	1	106.0810	0.000	1	108.5358	10.143	4	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	S-4:C-4:	C(CC[6]HH)(OS)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	O(SC[6a]OO)(CCHH)	C(CC[6]HH)(OS)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	O(SC[6a]OO)(CCHH)	105.4900	0.000	1	105.4900	0.000	1	108.5358	10.143	4	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	S-4:C-4:	C(CC[6]HH)(OS)(H)2	C(C[6]C[6]O[6]C)(CHHO)(H)2	O(SN[6]OO)(CCHH)	C(CC[6]HH)(OS)(H)2	C(C[6]C[6]O[6]C)(CHHO)(H)2	O(SN[6]OO)(CCHH)	111.2860	0.000	2	111.2860	0.000	2	108.5358	10.143	4	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	Si-4:C-4:	C(CC[6]HH)(OSi)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	O(SiC[6a]2C)(CCHH)	C(CC[6]HH)(OSi)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	O(SiC[6a]2C)(CCHH)	110.8200	0.000	1	110.8200	0.000	1	109.5403	1.277	3	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	Si-4:C-4:	C(CC[6]HH)(OSi)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	O(SiC[6a]2C)(CCHH)	C(CC[6]HH)(OSi)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	O(SiC[6a]2C)(CCHH)	108.9005	0.313	2	108.9005	0.098	2	109.5403	1.277	3	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NAlCC)(CHHO)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(NAlCC)(CHHO)(H)2	O(CCHH)(CH3)	111.2830	0.000	1	111.2830	0.000	1	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NAlCH)(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NAlCH)(CHHO)(H)2	O(CCHH)2	112.8660	0.000	1	112.8660	0.000	1	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NC[6]HH)(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NC[6]HH)(CHHO)(H)2	O(CCHH)2	109.5275	3.509	2	109.5275	12.316	2	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NCuCH)(CHHO)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(NCuCH)(CHHO)(H)2	O(CCHH)(CH3)	108.3240	0.000	1	108.3240	0.000	1	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NFeCC)(CHHO)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(NFeCC)(CHHO)(H)2	O(CCHH)(CH3)	108.9380	0.000	1	108.9380	0.000	1	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NFeCC)(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NFeCC)(CHHO)(H)2	O(CCHH)2	109.0146	1.722	8	109.0146	2.965	8	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NFeCC)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	C(CHHN)(OC)(H)2	C(NFeCC)(CHHO)(H)2	O(CC[6a]HH)(CCHH)	109.4310	0.000	1	109.4310	0.000	1	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NIrCC)(CHHO)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(NIrCC)(CHHO)(H)2	O(CCHH)(CH3)	109.6920	0.000	1	109.6920	0.000	1	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NIrCC)(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NIrCC)(CHHO)(H)2	O(CCHH)2	111.8166	2.979	18	111.8166	8.877	18	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NLiCC)(CHHO)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(NLiCC)(CHHO)(H)2	O(CCHH)(CH3)	109.2025	0.692	2	109.2025	0.479	2	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NLiCC)(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NLiCC)(CHHO)(H)2	O(CCHH)2	109.5088	1.573	6	109.5088	2.476	6	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NNiCC)(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NNiCC)(CHHO)(H)2	O(CCHH)2	111.5007	3.008	4	111.5007	9.050	4	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NNiCH)(CHHO)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(NNiCH)(CHHO)(H)2	O(CCHH)(CH3)	108.1380	0.000	1	108.1380	0.000	1	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NPdCH)(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NPdCH)(CHHO)(H)2	O(CCHH)2	110.9250	3.046	4	110.9250	9.277	4	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NReCC)(CHHO)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(NReCC)(CHHO)(H)2	O(CCHH)(CH3)	109.9730	0.000	1	109.9730	0.000	1	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NSnCC)(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NSnCC)(CHHO)(H)2	O(CCHH)2	106.5645	1.292	2	106.5645	1.669	2	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NZnCC)(CHHO)(H)2	O(CCHH)(CH3)	C(CHHN)(OC)(H)2	C(NZnCC)(CHHO)(H)2	O(CCHH)(CH3)	112.1965	3.570	2	112.1965	12.746	2	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)(H)2	C(NZnCC)(CHHO)(H)2	O(CCHH)2	C(CHHN)(OC)(H)2	C(NZnCC)(CHHO)(H)2	O(CCHH)2	111.3100	0.000	1	111.3100	0.000	1	110.4651	6.952	57	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:	C(CHHN)(OP)(H)2	C(NRuCH)(CHHO)(H)2	O(PRuCC)(CCHH)	C(CHHN)(OP)(H)2	C(NRuCH)(CHHO)(H)2	O(PRuCC)(CCHH)	114.3505	2.521	8	114.3505	6.354	8	114.3505	6.354	8	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CN[5,5]HH)(OC)(H)2	C(N[5,5]In[5,5]C[5]2)(CHHO)(H)2	O(CCHH)(CH3)	C(CN[5,5]HH)(OC)(H)2	C(N[5,5]In[5,5]C[5]2)(CHHO)(H)2	O(CCHH)(CH3)	107.2800	0.000	1	107.2800	0.000	1	107.2800	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	O(CCHH)2	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	O(CCHH)2	110.1273	4.903	3	110.1273	24.042	3	110.4277	9.994	6	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	O(CC[6a]2H)(CCHH)	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	O(CC[6a]2H)(CCHH)	111.1950	0.195	2	111.1950	0.038	2	110.4277	9.994	6	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2O)(CHHO)(H)2	O(CCHH)2	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2O)(CHHO)(H)2	O(CCHH)2	109.7940	0.000	1	109.7940	0.000	1	110.4277	9.994	6	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHP)(OC)(H)2	C(PC[6a]2Pt)(CHHO)(H)2	O(CCHH)2	C(CHHP)(OC)(H)2	C(PC[6a]2Pt)(CHHO)(H)2	O(CCHH)2	108.0337	1.950	6	108.0337	3.801	6	109.1604	6.442	36	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHP)(OC)(H)2	C(PC[6a]2Ru)(CHHO)(H)2	O(CCHH)(CH3)	C(CHHP)(OC)(H)2	C(PC[6a]2Ru)(CHHO)(H)2	O(CCHH)(CH3)	109.8215	3.207	2	109.8215	10.283	2	109.1604	6.442	36	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHP)(OC)(H)2	C(PC[6a]BC)(CHHO)(H)2	O(CCHH)2	C(CHHP)(OC)(H)2	C(PC[6a]BC)(CHHO)(H)2	O(CCHH)2	108.8073	0.679	10	108.8073	0.461	10	109.1604	6.442	36	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHP)(OC)(H)2	C(PC[6a]PdC)(CHHO)(H)2	O(CCHH)2	C(CHHP)(OC)(H)2	C(PC[6a]PdC)(CHHO)(H)2	O(CCHH)2	110.1535	3.972	6	110.1535	15.775	6	109.1604	6.442	36	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHP)(OC)(H)2	C(PC[6a]PtC)(CHHO)(H)2	O(CCHH)2	C(CHHP)(OC)(H)2	C(PC[6a]PtC)(CHHO)(H)2	O(CCHH)2	108.2990	0.550	2	108.2990	0.303	2	109.1604	6.442	36	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHP)(OC)(H)2	C(PFeCC)(CHHO)(H)2	O(CCHH)(CH3)	C(CHHP)(OC)(H)2	C(PFeCC)(CHHO)(H)2	O(CCHH)(CH3)	108.3166	1.724	8	108.3166	2.974	8	109.1604	6.442	36	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHP)(OC)(H)2	C(PPtCC)(CHHO)(H)2	O(CCHH)2	C(CHHP)(OC)(H)2	C(PPtCC)(CHHO)(H)2	O(CCHH)2	114.9020	1.807	2	114.9020	3.267	2	109.1604	6.442	36	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:	C(CHHP)(OP)(H)2	C(PC[6a]2Ir)(CHHO)(H)2	O(PIrOO)(CCHH)	C(CHHP)(OP)(H)2	C(PC[6a]2Ir)(CHHO)(H)2	O(PIrOO)(CCHH)	113.0250	0.000	1	113.0250	0.000	1	113.0250	0.000	1	109.7064	9.307	650	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-5:C-4:	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(PPtOSS)(CCHH)	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	O(PPtOSS)(CCHH)	109.0375	1.561	2	109.0375	2.435	2	108.4830	2.140	3	110.0200	10.876	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-5:C-4:	C(CCHH)(OP)(H)2	C(CHHO)(CH3)(H)2	O(PC[6a]NiSS)(CCHH)	C(CCHH)(OP)(H)2	C(CHHO)(CH3)(H)2	O(PC[6a]NiSS)(CCHH)	107.3740	0.000	1	107.3740	0.000	1	108.4830	2.140	3	110.0200	10.876	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:1:1:	5:4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	Si-5:C-4:	C(CHHN)(OSi)(H)2	C(NEuCC)(CHHO)(H)2	O(SiEuSiCO)(CCHH)	C(CHHN)(OSi)(H)2	C(NEuCC)(CHHO)(H)2	O(SiEuSiCO)(CCHH)	114.6310	0.000	1	114.6310	0.000	1	114.6310	0.000	1	110.0200	10.876	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CC[6a]HO)(CHHO)(CC)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]HO)(CHHO)(CC)(H)	O(CCHH)(H)	111.5230	0.447	2	111.5230	0.200	2	111.5230	0.200	2	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NC)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NC)(H)	O(CCHH)(H)	111.5225	1.834	8	111.5225	3.364	8	112.2846	2.626	16	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NS)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NS)(H)	O(CCHH)(H)	112.2007	1.204	3	112.2007	1.450	3	112.2846	2.626	16	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NC)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NC)(H)	O(CCHH)(H)	113.6455	0.350	2	113.6455	0.123	2	112.2846	2.626	16	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CC[6a]HO)(CHHO)(NS)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CC[6a]HO)(CHHO)(NS)(H)	O(CCHH)(H)	113.6560	0.000	1	113.6560	0.000	1	112.2846	2.626	16	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NC)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NC)(H)	O(CCHH)(H)	113.3050	0.000	1	113.3050	0.000	1	112.2846	2.626	16	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(CHHS)(NC)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(CHHS)(NC)(H)	O(CCHH)(H)	113.5200	0.000	1	113.5200	0.000	1	112.2846	2.626	16	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CCCH)(CHHO)(OC)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CCCH)(CHHO)(OC)(H)	O(CCHH)(H)	114.4040	0.000	1	114.4040	0.000	1	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CCCN)(CHHO)(OH)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CCCN)(CHHO)(OH)(H)	O(CCHH)(H)	111.4220	0.000	1	111.4220	0.000	1	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CCCO)(CHHO)(OC)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CCCO)(CHHO)(OC)(H)	O(CCHH)(H)	110.7880	1.202	2	110.7880	1.445	2	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CCCO)(CHHO)(OH)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CCCO)(CHHO)(OH)(H)	O(CCHH)(H)	109.6160	0.573	2	109.6160	0.328	2	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CCHH)(CHHO)(OH)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CCHH)(CHHO)(OH)(H)	O(CCHH)(H)	112.0820	0.000	1	112.0820	0.000	1	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CCHH)(CHHO)(OSi)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CCHH)(CHHO)(OSi)(H)	O(CCHH)(H)	110.8160	0.000	1	110.8160	0.000	1	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CCHN)(CHHO)(OH)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CCHN)(CHHO)(OH)(H)	O(CCHH)(H)	112.3545	0.851	2	112.3545	0.724	2	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CCHO)(CHHO)(OC)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CCHO)(CHHO)(OC)(H)	O(CCHH)(H)	111.0770	0.895	9	111.0770	0.801	9	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CCHO)(CHHO)(OH)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CCHO)(CHHO)(OH)(H)	O(CCHH)(H)	111.5502	1.236	73	111.5502	1.528	73	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CC[3x6]HN)(CHHO)(OH)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CC[3x6]HN)(CHHO)(OH)(H)	O(CCHH)(H)	111.9530	0.000	1	111.9530	0.000	1	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CC[5]HO)(CHHO)(OH)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CC[5]HO)(CHHO)(OH)(H)	O(CCHH)(H)	112.1703	0.935	3	112.1703	0.874	3	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CC[6]CH)(CHHO)(OH)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CC[6]CH)(CHHO)(OH)(H)	O(CCHH)(H)	111.2440	0.000	1	111.2440	0.000	1	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CC[6a]HO)(CHHO)(OH)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CC[6a]HO)(CHHO)(OH)(H)	O(CCHH)(H)	113.5340	0.137	2	113.5340	0.019	2	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CHHO)(CHNN)(OH)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CHHO)(CHNN)(OH)(H)	O(CCHH)(H)	109.5680	0.000	1	109.5680	0.000	1	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CHHO)2(OC)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CHHO)2(OC)(H)	O(CCHH)(H)	109.7567	2.007	3	109.7567	4.029	3	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CHHO)2(OH)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CHHO)2(OH)(H)	O(CCHH)(H)	111.7974	1.608	24	111.7974	2.585	24	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	O(CCHH)(H)	109.8860	0.000	1	109.8860	0.000	1	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(OH)(H)2	C(CSiCO)(CHHO)(OC)(H)	O(CCHH)(H)	C(CCHO)(OH)(H)2	C(CSiCO)(CHHO)(OC)(H)	O(CCHH)(H)	112.9900	0.000	1	112.9900	0.000	1	111.5405	1.862	129	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[3]HO)(OH)(H)2	C(C[3]C[3]2H)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[3]HO)(OH)(H)2	C(C[3]C[3]2H)(CHHO)(OH)(H)	O(CCHH)(H)	110.5700	0.000	2	110.5700	0.000	2	110.5700	0.000	2	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[4,5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[4,5]HO)(OH)(H)2	C(C[4,5]C[4,5]C[4]O[5])(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[4,5]HO)(OH)(H)2	C(C[4,5]C[4,5]C[4]O[5])(CHHO)(OH)(H)	O(CCHH)(H)	110.2250	0.824	2	110.2250	0.680	2	110.2250	0.680	2	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[4]HO)(OH)(H)2	C(C[4]C[4]N[4]H)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[4]HO)(OH)(H)2	C(C[4]C[4]N[4]H)(CHHO)(OH)(H)	O(CCHH)(H)	111.7210	0.000	1	111.7210	0.000	1	111.7210	0.000	1	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[5,6]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5,6]HO)(OH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[5,6]HO)(OH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	O(CCHH)(H)	108.9970	0.666	3	108.9970	0.444	3	108.9970	0.444	3	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:N-2:H-1:	C-4:H-1:	C(CC[5]HN)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	O(CCHH)(H)	C(CC[5]HN)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	O(CCHH)(H)	111.1330	1.073	5	111.1330	1.151	5	111.1330	1.151	5	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(OH)(H)2	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[5]HO)(OH)(H)2	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	O(CCHH)(H)	111.0063	0.233	3	111.0063	0.054	3	111.2699	2.966	54	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	O(CCHH)(H)	111.0220	0.000	1	111.0220	0.000	1	111.2699	2.966	54	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5,6]C[5]O)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5,6]C[5]O)(CHHO)(OH)(H)	O(CCHH)(H)	111.5120	1.149	3	111.5120	1.320	3	111.2699	2.966	54	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	O(CCHH)(H)	110.6915	0.528	2	110.6915	0.279	2	111.2699	2.966	54	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(OH)(H)	O(CCHH)(H)	113.4480	0.460	2	113.4480	0.211	2	111.2699	2.966	54	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	O(CCHH)(H)	113.0450	0.000	1	113.0450	0.000	1	111.2699	2.966	54	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	O(CCHH)(H)	112.0463	1.750	3	112.0463	3.062	3	111.2699	2.966	54	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O(CCHH)(H)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O(CCHH)(H)	113.0030	0.000	1	113.0030	0.000	1	111.2699	2.966	54	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O(CCHH)(H)	111.0817	1.876	36	111.0817	3.519	36	111.2699	2.966	54	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OPt)(H)	O(CCHH)(H)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OPt)(H)	O(CCHH)(H)	109.0830	0.000	1	109.0830	0.000	1	111.2699	2.966	54	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(OH)(H)2	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[5]HO)(OH)(H)2	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	O(CCHH)(H)	111.5070	0.000	1	111.5070	0.000	1	111.2699	2.966	54	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[6]HO)(OH)(H)2	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[6]HO)(OH)(H)2	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	O(CCHH)(H)	111.2368	1.368	18	111.2368	1.872	18	111.1948	2.005	25	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[6]HO)(OH)(H)2	C(C[6]C[6]2C)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[6]HO)(OH)(H)2	C(C[6]C[6]2C)(CHHO)(OH)(H)	O(CCHH)(H)	111.3132	2.130	4	111.3132	4.539	4	111.1948	2.005	25	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[6]HO)(OH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	O(CCHH)(H)	C(CC[6]HO)(OH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	O(CCHH)(H)	110.7853	1.024	3	110.7853	1.050	3	111.1948	2.005	25	111.4341	2.219	239	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:N-3:	C(CCHO)(ON)(H)2	C(CCHO)(CHHO)(ON)(H)	O(CCHH)(NOO)	C(CCHO)(ON)(H)2	C(CCHO)(CHHO)(ON)(H)	O(CCHH)(NOO)	104.7940	0.581	2	104.7940	0.338	2	104.7940	0.338	2	104.7940	0.338	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NC)(H)	O(CCHH)(CH3)	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NC)(H)	O(CCHH)(CH3)	111.2047	2.862	3	111.2047	8.193	3	111.2047	8.193	3	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	P-4:C-4:	C(CCHN)(OP)(H)2	C(CHHO)(CC3)(NC)(H)	O(PC[6a]OO)(CCHH)	C(CCHN)(OP)(H)2	C(CHHO)(CC3)(NC)(H)	O(PC[6a]OO)(CCHH)	109.0606	1.478	5	109.0606	2.185	5	109.0606	2.185	5	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	107.6487	0.412	3	107.6487	0.169	3	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OSi)(H)	O(CC[6a]HH)(CCHH)	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OSi)(H)	O(CC[6a]HH)(CCHH)	105.9070	0.000	1	105.9070	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CCCO)(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	C(CCHO)(OC)(H)2	C(CCCO)(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	113.8660	0.000	1	113.8660	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CCHH)(CHHO)(OC)(H)	O(CCHH)(CHHO)	C(CCHO)(OC)(H)2	C(CCHH)(CHHO)(OC)(H)	O(CCHH)(CHHO)	108.6320	0.000	1	108.6320	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CCHN)(CHHO)(OH)(H)	O(CCHH)(CHHO)	C(CCHO)(OC)(H)2	C(CCHN)(CHHO)(OH)(H)	O(CCHH)(CHHO)	109.9260	0.000	1	109.9260	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]3)(CCHH)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]3)(CCHH)	106.7920	1.105	2	106.7920	1.220	2	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]HH)(CCHH)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]HH)(CCHH)	109.0964	1.333	5	109.0964	1.778	5	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OH)(H)	O(CCHH)2	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OH)(H)	O(CCHH)2	110.9020	0.000	1	110.9020	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	107.2590	0.000	1	107.2590	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OS)(H)	O(CC[6a]HH)(CCHH)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OS)(H)	O(CC[6a]HH)(CCHH)	110.3462	1.148	4	110.3462	1.318	4	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CC[4]HO)(CHHO)(OC)(H)	O(CC[4]HH)(CCHH)	C(CCHO)(OC)(H)2	C(CC[4]HO)(CHHO)(OC)(H)	O(CC[4]HH)(CCHH)	114.6610	0.000	1	114.6610	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CC[5]HO)(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	C(CCHO)(OC)(H)2	C(CC[5]HO)(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	107.2145	0.456	2	107.2145	0.208	2	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CC[6a]2H)(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	C(CCHO)(OC)(H)2	C(CC[6a]2H)(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	116.0560	0.000	1	116.0560	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CC[6a]HP)(CHHO)(OH)(H)	O(CCHH)(CH3)	C(CCHO)(OC)(H)2	C(CC[6a]HP)(CHHO)(OH)(H)	O(CCHH)(CH3)	112.7070	0.000	1	112.7070	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CC[6a]HP)(CHHO)(OH)(H)	O(CC[6a]3)(CCHH)	C(CCHO)(OC)(H)2	C(CC[6a]HP)(CHHO)(OH)(H)	O(CC[6a]3)(CCHH)	106.5440	0.597	2	106.5440	0.356	2	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CC[6a]HP)(CHHO)(OP)(H)	O(CCHH)(CH3)	C(CCHO)(OC)(H)2	C(CC[6a]HP)(CHHO)(OP)(H)	O(CCHH)(CH3)	107.0480	0.000	1	107.0480	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CC[6a]HS)(CHHO)(OP)(H)	O(CCHH)(CH3)	C(CCHO)(OC)(H)2	C(CC[6a]HS)(CHHO)(OP)(H)	O(CCHH)(CH3)	108.4550	0.426	4	108.4550	0.182	4	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CC[6a]HS)(CHHO)(OP)(H)	O(CC[6a]3)(CCHH)	C(CCHO)(OC)(H)2	C(CC[6a]HS)(CHHO)(OP)(H)	O(CC[6a]3)(CCHH)	107.7080	0.000	1	107.7080	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	O(CC[5a]HH)(CCHH)	C(CCHO)(OC)(H)2	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	O(CC[5a]HH)(CCHH)	114.1980	0.000	1	114.1980	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OC)(H)	O(CCHH)2	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OC)(H)	O(CCHH)2	110.4300	2.246	2	110.4300	5.043	2	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OC)(H)	O(CC[6a]HH)(CCHH)	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OC)(H)	O(CC[6a]HH)(CCHH)	107.7750	0.000	1	107.7750	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OH)(H)	O(CCHH)2	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OH)(H)	O(CCHH)2	105.2720	0.000	1	105.2720	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OH)(H)	O(CC[6]HH)(CCHH)	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OH)(H)	O(CC[6]HH)(CCHH)	112.3430	0.000	1	112.3430	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CHHO)(CH3)(OC)(H)	O(CCHH)(CH3)	C(CCHO)(OC)(H)2	C(CHHO)(CH3)(OC)(H)	O(CCHH)(CH3)	106.6863	3.155	4	106.6863	9.953	4	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CHHO)2(OC)(H)	O(CCHH)(CH3)	C(CCHO)(OC)(H)2	C(CHHO)2(OC)(H)	O(CCHH)(CH3)	108.6390	0.000	1	108.6390	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CN[5]HH)(CHHO)(OH)(H)	O(CC[6a]2H)(CCHH)	C(CCHO)(OC)(H)2	C(CN[5]HH)(CHHO)(OH)(H)	O(CC[6a]2H)(CCHH)	108.4830	0.000	1	108.4830	0.000	1	108.9716	7.095	45	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C(CCHO)(OSi)(H)2	C(CCCH)(CHHO)(OH)(H)	O(CCHH)(SiC3)	C(CCHO)(OSi)(H)2	C(CCCH)(CHHO)(OH)(H)	O(CCHH)(SiC3)	107.5725	0.914	2	107.5725	0.836	2	109.1350	2.895	5	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C(CCHO)(OSi)(H)2	C(CCHH)(CHHO)(OC)(H)	O(CCHH)(SiC3)	C(CCHO)(OSi)(H)2	C(CCHH)(CHHO)(OC)(H)	O(CCHH)(SiC3)	108.9280	0.000	1	108.9280	0.000	1	109.1350	2.895	5	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C(CCHO)(OSi)(H)2	C(CCHO)(CHHO)(OC)(H)	O(CCHH)(SiC3)	C(CCHO)(OSi)(H)2	C(CCHO)(CHHO)(OC)(H)	O(CCHH)(SiC3)	110.8010	0.516	2	110.8010	0.266	2	109.1350	2.895	5	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[3,5]-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[3,5]HO)(OC)(H)2	C(C[3,5]C[3,5]C[3]C[5])(CHHO)(OC)(H)	O(CCHH)(CHHO)	C(CC[3,5]HO)(OC)(H)2	C(C[3,5]C[3,5]C[3]C[5])(CHHO)(OC)(H)	O(CCHH)(CHHO)	106.7890	0.000	1	106.7890	0.000	1	106.7890	0.000	1	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[5,6]-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[5,6]HO)(OC)(H)2	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	O(CC[6a]HH)(CCHH)	C(CC[5,6]HO)(OC)(H)2	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	O(CC[6a]HH)(CCHH)	114.2930	0.000	1	114.2930	0.000	1	114.2930	0.000	1	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:N-2:H-1:	C-4:C-4:	C(CC[5]HN)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	O(CC[6a]3)(CCHH)	C(CC[5]HN)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	O(CC[6a]3)(CCHH)	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	O(CCHH)(CHHO)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	O(CCHH)(CHHO)	111.6650	0.000	1	111.6650	0.000	1	108.4962	3.453	6	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	107.9420	0.000	1	107.9420	0.000	1	108.4962	3.453	6	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	O(CC[6a]HH)(CCHH)	106.7250	0.420	2	106.7250	0.176	2	108.4962	3.453	6	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O(CCHH)(CH3)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O(CCHH)(CH3)	109.0930	0.000	1	109.0930	0.000	1	108.4962	3.453	6	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	O(CC[6a]3)(CCHH)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	O(CC[6a]3)(CCHH)	108.8270	0.000	1	108.8270	0.000	1	108.4962	3.453	6	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:S-4:	C(CC[5]HO)(OS)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O(CCHH)(SCOO)	C(CC[5]HO)(OS)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O(CCHH)(SCOO)	106.4130	1.017	2	106.4130	1.034	2	106.4130	1.034	2	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:Si-4:	C(CC[5]HO)(OSi)(H)2	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	O(CCHH)(SiC3)	C(CC[5]HO)(OSi)(H)2	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	O(CCHH)(SiC3)	111.1590	0.000	1	111.1590	0.000	1	110.9030	0.131	2	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:Si-4:	C(CC[5]HO)(OSi)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O(CCHH)(SiC3)	C(CC[5]HO)(OSi)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O(CCHH)(SiC3)	110.6470	0.000	1	110.6470	0.000	1	110.9030	0.131	2	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:	C(CC[5]HO)(OC[5])(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O(C[5]C[5]O[5]H)(CCHH)	C(CC[5]HO)(OC[5])(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O(C[5]C[5]O[5]H)(CCHH)	113.4740	0.000	1	113.4740	0.000	1	113.4740	0.000	1	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	O(CC[6a]HH)(CCHH)	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	O(CC[6a]HH)(CCHH)	108.5760	0.000	1	108.5760	0.000	1	108.9087	2.427	4	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O(CC[6a]HH)(CCHH)	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O(CC[6a]HH)(CCHH)	107.5510	0.000	1	107.5510	0.000	1	108.9087	2.427	4	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	O(CCHH)(CH3)	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	O(CCHH)(CH3)	109.7540	1.974	2	109.7540	3.898	2	108.9087	2.427	4	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:S-4:	C(CC[6]HO)(OS)(H)2	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	O(CCHH)(SCOO)	C(CC[6]HO)(OS)(H)2	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	O(CCHH)(SCOO)	108.2830	0.000	1	108.2830	0.000	1	108.2830	0.000	1	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:Si-4:	C(CC[6]HO)(OSi)(H)2	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	O(CCHH)(SiC3)	C(CC[6]HO)(OSi)(H)2	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	O(CCHH)(SiC3)	110.4960	0.000	1	110.4960	0.000	1	110.9875	0.483	2	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:Si-4:	C(CC[6]HO)(OSi)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O(CCHH)(SiC3)	C(CC[6]HO)(OSi)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O(CCHH)(SiC3)	111.4790	0.000	1	111.4790	0.000	1	110.9875	0.483	2	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	P-4:C-4:	C(CC[6]HO)(OP)(H)2	C(C[6]C[6]2Ru)(CHHO)(OC)(H)	O(PC[6a]2Ru)(CCHH)	C(CC[6]HO)(OP)(H)2	C(C[6]C[6]2Ru)(CHHO)(OC)(H)	O(PC[6a]2Ru)(CCHH)	111.9800	1.230	5	111.9800	1.514	5	111.9800	1.514	5	109.3030	6.258	84	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:2:2:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:O-2:	C-4:P-4:	C(CCOO)(OP)(H)2	C(CFHH)(CHHO)(OH)2	O(CCHH)(PO3)	C(CCOO)(OP)(H)2	C(CFHH)(CHHO)(OH)2	O(CCHH)(PO3)	112.9640	0.000	1	112.9640	0.000	1	112.9640	0.000	1	112.9640	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CCCH)(CHHO)(CCH)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CCCH)(CHHO)(CCH)(H)	O(CCHH)(H)	111.0880	0.000	1	111.0880	0.000	1	110.3942	4.121	4	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CCCN)(CHHO)(CCH)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CCCN)(CHHO)(CCH)(H)	O(CCHH)(H)	111.5040	0.964	2	111.5040	0.930	2	110.3942	4.121	4	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)(COO)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)(COO)(H)	O(CCHH)(H)	107.4810	0.000	1	107.4810	0.000	1	110.3942	4.121	4	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NCH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NCH)(H)	O(CCHH)(H)	111.3314	2.372	9	111.3314	5.628	9	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NHH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NHH)(H)	O(CCHH)(H)	110.4720	0.000	1	110.4720	0.000	1	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NPdC)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NPdC)(H)	O(CCHH)(H)	115.0220	0.929	2	115.0220	0.863	2	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCFH)(CHHO)(NHH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCFH)(CHHO)(NHH)(H)	O(CCHH)(H)	110.4880	0.000	1	110.4880	0.000	1	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCC)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCC)(H)	O(CCHH)(H)	113.5340	0.814	4	113.5340	0.663	4	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCH)(H)	O(CCHH)(H)	111.8550	1.539	13	111.8550	2.368	13	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NHH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NHH)(H)	O(CCHH)(H)	113.1310	0.000	1	113.1310	0.000	1	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NHS)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NHS)(H)	O(CCHH)(H)	108.8900	0.000	1	108.8900	0.000	1	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NMnC)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NMnC)(H)	O(CCHH)(H)	110.6020	2.867	2	110.6020	8.217	2	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCHN)(CHHO)(NCC)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCHN)(CHHO)(NCC)(H)	O(CCHH)(H)	109.2700	3.745	2	109.2700	14.024	2	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NCC)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NCC)(H)	O(CCHH)(H)	111.3205	1.924	2	111.3205	3.702	2	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NCH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NCH)(H)	O(CCHH)(H)	112.1420	0.000	1	112.1420	0.000	1	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NHS)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NHS)(H)	O(CCHH)(H)	108.3720	0.000	1	108.3720	0.000	1	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CC[5]HH)(CHHO)(NCS)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CC[5]HH)(CHHO)(NCS)(H)	O(CCHH)(H)	109.0770	0.000	1	109.0770	0.000	1	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	O(CCHH)(H)	113.1796	0.822	8	113.1796	0.675	8	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NHS)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NHS)(H)	O(CCHH)(H)	110.7410	0.000	1	110.7410	0.000	1	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CC[6a]HN)(CHHO)(NHS)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CC[6a]HN)(CHHO)(NHS)(H)	O(CCHH)(H)	107.5880	0.000	1	107.5880	0.000	1	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CC[6a]HO)(CHHO)(NHH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CC[6a]HO)(CHHO)(NHH)(H)	O(CCHH)(H)	110.4180	0.000	1	110.4180	0.000	1	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHN)(CHHO)(NCC)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHN)(CHHO)(NCC)(H)	O(CCHH)(H)	114.0480	0.000	1	114.0480	0.000	1	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHN)(CHHO)(NCH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHN)(CHHO)(NCH)(H)	O(CCHH)(H)	112.5595	1.969	2	112.5595	3.878	2	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NCC)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NCC)(H)	O(CCHH)(H)	112.8540	1.898	3	112.8540	3.603	3	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NCH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NCH)(H)	O(CCHH)(H)	111.2434	2.208	5	111.2434	4.877	5	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NHS)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NHS)(H)	O(CCHH)(H)	112.6755	0.438	2	112.6755	0.192	2	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)2(NCC)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)2(NCC)(H)	O(CCHH)(H)	111.4383	2.185	6	111.4383	4.774	6	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)2(NOO)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)2(NOO)(H)	O(CCHH)(H)	111.7900	0.014	2	111.7900	0.000	2	111.7935	4.097	73	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(NCHH)(COO)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(NCHH)(COO)(H)	O(CCHH)(H)	107.4660	0.000	1	107.4660	0.000	1	110.7958	2.118	54	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(NH3)(CNO)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(NH3)(CNO)(H)	O(CCHH)(H)	110.3604	1.586	7	110.3604	2.515	7	110.7958	2.118	54	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(NH3)(COO)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(NH3)(COO)(H)	O(CCHH)(H)	110.9344	1.365	46	110.9344	1.864	46	110.7958	2.118	54	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(COO)(H)	O(CCHH)(H)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(COO)(H)	O(CCHH)(H)	111.8140	0.000	1	111.8140	0.000	1	110.3740	4.147	2	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(CCH)(H)	O(CCHH)(H)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(CCH)(H)	O(CCHH)(H)	108.9340	0.000	1	108.9340	0.000	1	110.3740	4.147	2	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:	C(CC[5]HN)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(NCH)(H)	O(CCHH)(H)	C(CC[5]HN)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(NCH)(H)	O(CCHH)(H)	109.4390	0.000	1	109.4390	0.000	1	109.4390	0.000	1	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:	C(CC[6]HN)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(NCC)(H)	O(CCHH)(H)	C(CC[6]HN)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(NCC)(H)	O(CCHH)(H)	108.7560	0.658	2	108.7560	0.432	2	108.7560	0.432	2	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(NCuHH)(CHHO)(COO)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(NCuHH)(CHHO)(COO)(H)	O(CCHH)(H)	111.4793	2.909	4	111.4793	8.460	4	111.2980	4.352	8	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(NReHH)(CHHO)(COO)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(NReHH)(CHHO)(COO)(H)	O(CCHH)(H)	111.1167	1.268	4	111.1167	1.608	4	111.2980	4.352	8	111.2747	3.549	144	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:N-3:	C(CCHN)(ON)(H)2	C(CHHO)2(NOO)(H)	O(CCHH)(NOO)	C(CCHN)(ON)(H)2	C(CHHO)2(NOO)(H)	O(CCHH)(NOO)	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(CCCH)(OC)(H)2	C(CHHO)(CH3)(CCH)(H)	O(CC[6a]HH)(CCHH)	C(CCCH)(OC)(H)2	C(CHHO)(CH3)(CCH)(H)	O(CC[6a]HH)(CCHH)	109.2370	1.570	2	109.2370	2.464	2	109.3493	1.270	3	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(CCCH)(OC)(H)2	C(CHHO)(CH3)(CCO)(H)	O(CC[6a]HH)(CCHH)	C(CCCH)(OC)(H)2	C(CHHO)(CH3)(CCO)(H)	O(CC[6a]HH)(CCHH)	109.5740	0.000	1	109.5740	0.000	1	109.3493	1.270	3	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	P-4:C-4:	C(CCCH)(OP)(H)2	C(CHHO)2(COO)(H)	O(PC[6a]SS)(CCHH)	C(CCCH)(OP)(H)2	C(CHHO)2(COO)(H)	O(PC[6a]SS)(CCHH)	106.4855	0.523	2	106.4855	0.273	2	106.4855	0.273	2	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	S-4:C-4:	C(CCCH)(OS)(H)2	C(CCHH)(CHHO)(CCH)(H)	O(SC[6a]OO)(CCHH)	C(CCCH)(OS)(H)2	C(CCHH)(CHHO)(CCH)(H)	O(SC[6a]OO)(CCHH)	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NCO)(H)	O(CC[6a]HH)(CCHH)	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NCO)(H)	O(CC[6a]HH)(CCHH)	108.9680	0.000	1	108.9680	0.000	1	111.7138	4.284	45	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCC)(H)	O(CC[6a]HH)(CCHH)	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCC)(H)	O(CC[6a]HH)(CCHH)	113.5337	0.512	6	113.5337	0.262	6	111.7138	4.284	45	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCH)(H)	O(CCHH)(CH3)	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCH)(H)	O(CCHH)(CH3)	108.6810	0.000	1	108.6810	0.000	1	111.7138	4.284	45	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CCHO)(CHHO)(NCH)(H)	O(CCHH)(CHHO)	C(CCHN)(OC)(H)2	C(CCHO)(CHHO)(NCH)(H)	O(CCHH)(CHHO)	109.6640	0.000	1	109.6640	0.000	1	111.7138	4.284	45	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CC[6a]HH)(CHHO)(NCC)(H)	O(CCHH)2	C(CCHN)(OC)(H)2	C(CC[6a]HH)(CHHO)(NCC)(H)	O(CCHH)2	110.3250	0.000	1	110.3250	0.000	1	111.7138	4.284	45	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CC[6a]HH)(CHHO)(NCC)(H)	O(CC[5a]HH)(CCHH)	C(CCHN)(OC)(H)2	C(CC[6a]HH)(CHHO)(NCC)(H)	O(CC[5a]HH)(CCHH)	112.8462	0.905	12	112.8462	0.819	12	111.7138	4.284	45	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CC[6a]HH)(CHHO)(NCC)(H)	O(CC[6a]HH)(CCHH)	C(CCHN)(OC)(H)2	C(CC[6a]HH)(CHHO)(NCC)(H)	O(CC[6a]HH)(CCHH)	112.0242	1.879	16	112.0242	3.532	16	111.7138	4.284	45	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CC[6a]HO)(CHHO)(NCH)(H)	O(CCHH)(CH3)	C(CCHN)(OC)(H)2	C(CC[6a]HO)(CHHO)(NCH)(H)	O(CCHH)(CH3)	108.9680	0.384	4	108.9680	0.148	4	111.7138	4.284	45	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CHHO)(CH3)(NCC)(H)	O(CC[6a]HH)(CCHH)	C(CCHN)(OC)(H)2	C(CHHO)(CH3)(NCC)(H)	O(CC[6a]HH)(CCHH)	108.6230	1.770	3	108.6230	3.135	3	111.7138	4.284	45	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:Si-4:	C(CCHN)(OSi)(H)2	C(CCCO)(CHHO)(NHS)(H)	O(CCHH)(SiC3)	C(CCHN)(OSi)(H)2	C(CCCO)(CHHO)(NHS)(H)	O(CCHH)(SiC3)	109.2293	0.152	4	109.2293	0.023	4	109.1641	0.345	8	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:Si-4:	C(CCHN)(OSi)(H)2	C(CCHO)(CHHO)(NCC)(H)	O(CCHH)(SiC3)	C(CCHN)(OSi)(H)2	C(CCHO)(CHHO)(NCC)(H)	O(CCHH)(SiC3)	109.0090	0.000	1	109.0090	0.000	1	109.1641	0.345	8	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:Si-4:	C(CCHN)(OSi)(H)2	C(CC[6a]2H)(CHHO)(NHS)(H)	O(CCHH)(SiC3)	C(CCHN)(OSi)(H)2	C(CC[6a]2H)(CHHO)(NHS)(H)	O(CCHH)(SiC3)	108.2640	0.000	1	108.2640	0.000	1	109.1641	0.345	8	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:Si-4:	C(CCHN)(OSi)(H)2	C(CN[6]CC)(CHHO)(NHS)(H)	O(CCHH)(SiC3)	C(CCHN)(OSi)(H)2	C(CN[6]CC)(CHHO)(NHS)(H)	O(CCHH)(SiC3)	109.5615	1.087	2	109.5615	1.181	2	109.1641	0.345	8	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	P-4:C-4:	C(CCHN)(OP)(H)2	C(CHHO)(CC3)(NCH)(H)	O(PC[6a]OO)(CCHH)	C(CCHN)(OP)(H)2	C(CHHO)(CC3)(NCH)(H)	O(PC[6a]OO)(CCHH)	110.6653	2.838	3	110.6653	8.055	3	110.6653	8.055	3	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	S-4:C-4:	C(CCHN)(OS)(H)2	C(CC[5]HH)(CHHO)(NCS)(H)	O(SC[6a]OO)(CCHH)	C(CCHN)(OS)(H)2	C(CC[5]HH)(CHHO)(NCS)(H)	O(SC[6a]OO)(CCHH)	107.7185	0.180	2	107.7185	0.033	2	107.7185	0.033	2	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	Si-4:C-4:	C(CCHN)(OSi)(H)2	C(CC[5a]HH)(CHHO)(NHS)(H)	O(SiC[6a]2C)(CCHH)	C(CCHN)(OSi)(H)2	C(CC[5a]HH)(CHHO)(NHS)(H)	O(SiC[6a]2C)(CCHH)	109.1445	1.084	2	109.1445	1.175	2	109.1445	1.175	2	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:C-4:	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OFeC)(H)	O(CC[6a]HH)(CCHH)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OFeC)(H)	O(CC[6a]HH)(CCHH)	109.1515	2.887	2	109.1515	8.335	2	109.1515	8.335	2	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:P-4:	C(CCHN)(OP)(H)2	C(CHHO)(NH3)(COO)(H)	O(CCHH)(PO3)	C(CCHN)(OP)(H)2	C(CHHO)(NH3)(COO)(H)	O(CCHH)(PO3)	108.3812	0.177	16	108.3812	0.031	16	108.3812	0.031	16	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C[4]-4:C-4:N-3:H-1:	C-4:C-4:	C(CC[4]HN)(OC)(H)2	C(C[4]C[4]2N)(CHHO)(NCH)(H)	O(CC[6a]HH)(CCHH)	C(CC[4]HN)(OC)(H)2	C(C[4]C[4]2N)(CHHO)(NCH)(H)	O(CC[6a]HH)(CCHH)	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:Si-4:	C(CC[5]HN)(OSi)(H)2	C(C[5]C[5]O[5]H)(CHHO)(NCH)(H)	O(CCHH)(SiC3)	C(CC[5]HN)(OSi)(H)2	C(C[5]C[5]O[5]H)(CHHO)(NCH)(H)	O(CCHH)(SiC3)	110.0640	0.000	1	110.0640	0.000	1	110.0640	0.000	1	110.3100	5.133	86	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:2:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C(CCCO)(OH)(H)2	C(CHHO)(CH3)(CCC)(OH)	O(CCHH)(H)	C(CCCO)(OH)(H)2	C(CHHO)(CH3)(CCC)(OH)	O(CCHH)(H)	110.9070	0.000	1	110.9070	0.000	1	110.9070	0.000	1	111.1418	0.506	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:2:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)(CH3)(NCH)(CN)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)(CH3)(NCH)(CN)	O(CCHH)(H)	111.8960	0.115	2	111.8960	0.013	2	111.8960	0.013	2	111.1418	0.506	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:2:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-3:O-2:	C-4:H-1:	C(CC[5]CO)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(CCO)(OH)	O(CCHH)(H)	C(CC[5]CO)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(CCO)(OH)	O(CCHH)(H)	110.5300	0.758	2	110.5300	0.575	2	110.5300	0.575	2	111.1418	0.506	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:2:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-3:O-2:	C-4:H-1:	C(CC[6]CO)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(COO)(OH)	O(CCHH)(H)	C(CC[6]CO)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(COO)(OH)	O(CCHH)(H)	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	111.1418	0.506	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)(CH3)(COO)(NCH)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)(CH3)(COO)(NCH)	O(CCHH)(H)	109.3240	2.114	2	109.3240	4.470	2	109.6567	2.567	3	111.1287	10.379	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)(CH3)(COO)(NHS)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)(CH3)(COO)(NHS)	O(CCHH)(H)	110.3220	0.000	1	110.3220	0.000	1	109.6567	2.567	3	111.1287	10.379	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:C-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)2(NCoC)(CHO)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)2(NCoC)(CHO)	O(CCHH)(H)	115.5450	0.000	1	115.5450	0.000	1	115.5450	0.000	1	111.1287	10.379	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:3:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:C-4:	C(CCCN)(OC)(H)2	C(CCCH)(CHHO)(COO)(NHH)	O(CCHH)(CC3)	C(CCCN)(OC)(H)2	C(CCCH)(CHHO)(COO)(NHH)	O(CCHH)(CC3)	107.5000	2.141	2	107.5000	4.584	2	107.5000	4.584	2	107.5000	4.584	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)2(NCuC)(CH3)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)2(NCuC)(CH3)	O(CCHH)(H)	111.9680	5.477	2	111.9680	30.000	2	113.6107	9.209	8	113.6107	9.209	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)2(NNiC)(CH3)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)2(NNiC)(CH3)	O(CCHH)(H)	114.4640	2.473	5	114.4640	6.115	5	113.6107	9.209	8	113.6107	9.209	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:3:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)2(NSnC)(CH3)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)2(NSnC)(CH3)	O(CCHH)(H)	112.6300	0.000	1	112.6300	0.000	1	113.6107	9.209	8	113.6107	9.209	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:H-1:	C(CClCC)(OH)(H)2	C(CBrCH)(CHHO)(CH3)(Cl)	O(CCHH)(H)	C(CClCC)(OH)(H)2	C(CBrCH)(CHHO)(CH3)(Cl)	O(CCHH)(H)	113.2885	0.551	2	113.2885	0.303	2	113.1683	0.195	3	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:H-1:	C(CClCC)(OH)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	O(CCHH)(H)	C(CClCC)(OH)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	O(CCHH)(H)	112.9280	0.000	1	112.9280	0.000	1	113.1683	0.195	3	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CCCH)(CCHH)(CHHO)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CCCH)(CCHH)(CHHO)(H)	O(CCHH)(H)	108.9702	0.261	4	108.9702	0.068	4	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CCCH)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CCCH)(CHHO)(CH3)(H)	O(CCHH)(H)	112.1700	0.000	1	112.1700	0.000	1	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CCCO)(CCHO)(CHHO)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CCCO)(CCHO)(CHHO)(H)	O(CCHH)(H)	112.2500	0.000	1	112.2500	0.000	1	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CCHH)(CCHO)(CHHO)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CCHH)(CCHO)(CHHO)(H)	O(CCHH)(H)	114.0290	0.000	1	114.0290	0.000	1	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CCHH)(CHHN)(CHHO)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CCHH)(CHHN)(CHHO)(H)	O(CCHH)(H)	113.0300	0.000	1	113.0300	0.000	1	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)(CH3)(H)	O(CCHH)(H)	113.1166	0.649	5	113.1166	0.421	5	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)2(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)2(H)	O(CCHH)(H)	112.6075	1.508	2	112.6075	2.275	2	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CCHH)2(CHHO)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CCHH)2(CHHO)(H)	O(CCHH)(H)	111.6685	0.303	2	111.6685	0.092	2	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CCHO)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CCHO)(CHHO)(CH3)(H)	O(CCHH)(H)	112.6404	1.280	7	112.6404	1.639	7	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CCHO)(CHHO)2(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CCHO)(CHHO)2(H)	O(CCHH)(H)	110.9415	2.262	4	110.9415	5.118	4	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CC[5]HO)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CC[5]HO)(CHHO)(CH3)(H)	O(CCHH)(H)	112.7880	0.000	1	112.7880	0.000	1	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CC[5a]HH)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CC[5a]HH)(CHHO)(CH3)(H)	O(CCHH)(H)	114.5150	0.000	1	114.5150	0.000	1	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CC[6a]CH)(CCHH)(CHHO)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]CH)(CCHH)(CHHO)(H)	O(CCHH)(H)	110.3330	0.031	2	110.3330	0.001	2	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CC[6a]CH)(CHHO)2(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]CH)(CHHO)2(H)	O(CCHH)(H)	110.3320	2.677	2	110.3320	7.167	2	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	O(CCHH)(H)	110.3980	2.797	2	110.3980	7.825	2	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCCN)(CHHO)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCCN)(CHHO)(H)	O(CCHH)(H)	109.5750	0.000	1	109.5750	0.000	1	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCHO)(CHHO)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCHO)(CHHO)(H)	O(CCHH)(H)	108.4890	0.000	1	108.4890	0.000	1	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CHHO)2(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CHHO)2(H)	O(CCHH)(H)	113.0995	0.161	2	113.0995	0.026	2	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CC[6a]HN)(CCHH)(CHHO)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]HN)(CCHH)(CHHO)(H)	O(CCHH)(H)	111.5590	0.000	1	111.5590	0.000	1	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CC[6a]HO)(CCCH)(CHHO)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]HO)(CCCH)(CHHO)(H)	O(CCHH)(H)	110.7490	0.000	1	110.7490	0.000	1	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CHHO)(CH3)2(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CHHO)(CH3)2(H)	O(CCHH)(H)	115.3814	4.972	7	115.3814	24.723	7	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(OH)(H)2	C(CN[5]CH)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CCCH)(OH)(H)2	C(CN[5]CH)(CHHO)(CH3)(H)	O(CCHH)(H)	110.2990	0.000	1	110.2990	0.000	1	112.1543	7.687	50	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NH3)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NH3)(H)	O(CCHH)(H)	110.4480	0.000	1	110.4480	0.000	1	110.6501	2.613	25	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCHH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCHH)(H)	O(CCHH)(H)	109.2217	0.478	6	109.2217	0.229	6	110.6501	2.613	25	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NH3)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NH3)(H)	O(CCHH)(H)	109.1275	2.449	2	109.1275	5.996	2	110.6501	2.613	25	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NC3)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NC3)(H)	O(CCHH)(H)	112.0775	1.814	2	112.0775	3.290	2	110.6501	2.613	25	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NCHH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NCHH)(H)	O(CCHH)(H)	114.6080	0.000	1	114.6080	0.000	1	110.6501	2.613	25	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CC[6a]HO)(CHHO)(NCCH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CC[6a]HO)(CHHO)(NCCH)(H)	O(CCHH)(H)	111.0205	1.089	6	111.0205	1.185	6	110.6501	2.613	25	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NH3)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NH3)(H)	O(CCHH)(H)	113.0880	0.000	1	113.0880	0.000	1	110.6501	2.613	25	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)2(NCCH)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)2(NCCH)(H)	O(CCHH)(H)	110.7075	0.763	6	110.7075	0.581	6	110.6501	2.613	25	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CC[6a]HH)(NRhCH)(CHHO)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CC[6a]HH)(NRhCH)(CHHO)(H)	O(CCHH)(H)	113.1820	0.000	1	113.1820	0.000	1	113.5873	2.783	7	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(CHHO)(NCHH)(CH3)(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(CHHO)(NCHH)(CH3)(H)	O(CCHH)(H)	113.6548	1.817	6	113.6548	3.301	6	113.5873	2.783	7	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[3]CH)(OH)(H)2	C(C[3]C[3]2H)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CC[3]CH)(OH)(H)2	C(C[3]C[3]2H)(CHHO)(CH3)(H)	O(CCHH)(H)	112.0020	0.000	1	112.0020	0.000	1	112.0020	0.000	1	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	O(CCHH)(H)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	O(CCHH)(H)	113.0880	0.000	1	113.0880	0.000	1	111.2750	3.134	13	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(CH3)(H)	O(CCHH)(H)	112.0618	1.920	5	112.0618	3.687	5	111.2750	3.134	13	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	O(CCHH)(H)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	O(CCHH)(H)	110.5860	0.499	2	110.5860	0.249	2	111.2750	3.134	13	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	O(CCHH)(H)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	O(CCHH)(H)	109.5770	0.000	1	109.5770	0.000	1	111.2750	3.134	13	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	O(CCHH)(H)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	O(CCHH)(H)	112.2155	0.235	2	112.2155	0.055	2	111.2750	3.134	13	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(H)	O(CCHH)(H)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(H)	O(CCHH)(H)	108.9990	0.461	2	108.9990	0.213	2	111.2750	3.134	13	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6]CH)(OH)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CC[6]CH)(OH)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	O(CCHH)(H)	110.8825	4.031	2	110.8825	16.251	2	111.6983	3.436	15	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6]CH)(OH)(H)2	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CC[6]CH)(OH)(H)2	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	O(CCHH)(H)	108.5630	0.000	1	108.5630	0.000	1	111.6983	3.436	15	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6]CH)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CC[6]CH)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	O(CCHH)(H)	111.3247	1.195	4	111.3247	1.427	4	111.6983	3.436	15	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6]CH)(OH)(H)2	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	O(CCHH)(H)	C(CC[6]CH)(OH)(H)2	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	O(CCHH)(H)	110.9725	1.694	2	110.9725	2.868	2	111.6983	3.436	15	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6]CH)(OH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O(CCHH)(H)	C(CC[6]CH)(OH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O(CCHH)(H)	112.9837	0.636	6	112.9837	0.405	6	111.6983	3.436	15	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)2	C(NC[6]HH)(CHHO)2(H)	O(CCHH)(H)	C(CCHN)(OH)(H)2	C(NC[6]HH)(CHHO)2(H)	O(CCHH)(H)	110.6215	0.170	2	110.6215	0.029	2	110.6215	0.029	2	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:H-1:	C(CCHP)(OH)(H)2	C(PC[6a]2Pd)(CHHO)(CHHP)(H)	O(CCHH)(H)	C(CCHP)(OH)(H)2	C(PC[6a]2Pd)(CHHO)(CHHP)(H)	O(CCHH)(H)	109.3625	2.821	2	109.3625	7.956	2	109.3625	7.956	2	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:1:	C-4:O-2:H-1:O-1:	C-4:C-4:N-4:H-1:	C-4:H-1:	C(CCHN)(OH)(H)(O)	C(CCHH)(CHOO)(NH3)(H)	O(CCHO)(H)	C(CCHN)(OH)(H)(O)	C(CCHH)(CHOO)(NH3)(H)	O(CCHO)(H)	116.6670	5.054	4	116.6670	25.538	4	116.6670	25.538	4	111.8792	6.665	122	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:	C(CCCH)(ON)(H)2	C(CHHO)3(H)	O(CCHH)(NOO)	C(CCCH)(ON)(H)2	C(CHHO)3(H)	O(CCHH)(NOO)	106.6220	4.034	3	106.6220	16.271	3	106.6220	16.271	3	108.1758	12.874	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:3:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:S-3:	C(CC[6]CH)(OS)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	O(CCHH)(SOO)	C(CC[6]CH)(OS)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	O(CCHH)(SOO)	110.5065	0.921	2	110.5065	0.849	2	110.5065	0.849	2	108.1758	12.874	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(OC)(H)2	C(CCHH)(CCHN)(CHHO)(H)	O(CC[6a]HH)(CCHH)	C(CCCH)(OC)(H)2	C(CCHH)(CCHN)(CHHO)(H)	O(CC[6a]HH)(CCHH)	109.8405	0.648	2	109.8405	0.420	2	109.6123	1.270	15	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	O(CC[6a]HH)(CCHH)	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	O(CC[6a]HH)(CCHH)	110.2070	0.000	1	110.2070	0.000	1	109.6123	1.270	15	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(OC)(H)2	C(CCHO)(CHHO)(CH3)(H)	O(CC[6a]HH)(CCHH)	C(CCCH)(OC)(H)2	C(CCHO)(CHHO)(CH3)(H)	O(CC[6a]HH)(CCHH)	110.2018	1.558	5	110.2018	2.427	5	109.6123	1.270	15	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(OC)(H)2	C(CCHO)2(CHHO)(H)	O(CC[6a]HH)(CCHH)	C(CCCH)(OC)(H)2	C(CCHO)2(CHHO)(H)	O(CC[6a]HH)(CCHH)	108.3705	0.593	2	108.3705	0.352	2	109.6123	1.270	15	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(OC)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	O(CCHH)(CH3)	C(CCCH)(OC)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	O(CCHH)(CH3)	110.3430	0.000	1	110.3430	0.000	1	109.6123	1.270	15	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(OC)(H)2	C(CSnHH)(CHHO)2(H)	O(CCHH)2	C(CCCH)(OC)(H)2	C(CSnHH)(CHHO)2(H)	O(CCHH)2	109.0507	0.278	4	109.0507	0.077	4	109.6123	1.270	15	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:P-4:	C(CCCH)(OP)(H)2	C(CHHO)(CH3)2(H)	O(CCHH)(POSS)	C(CCCH)(OP)(H)2	C(CHHO)(CH3)2(H)	O(CCHH)(POSS)	109.0583	0.851	4	109.0583	0.725	4	109.0583	0.725	4	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:S-4:	C(CCCH)(OS)(H)2	C(CCHH)(CHHO)(CH3)(H)	O(CCHH)(SCOO)	C(CCCH)(OS)(H)2	C(CCHH)(CHHO)(CH3)(H)	O(CCHH)(SCOO)	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:	C(CCCH)(OS)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	O(SC[6a]OO)(CCHH)	C(CCCH)(OS)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	O(SC[6a]OO)(CCHH)	107.4550	0.000	1	107.4550	0.000	1	107.4163	1.235	3	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:	C(CCCH)(OS)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	O(SC[6a]OO)(CCHH)	C(CCCH)(OS)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	O(SC[6a]OO)(CCHH)	107.3970	1.571	2	107.3970	2.469	2	107.4163	1.235	3	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	Si-4:C-4:	C(CCCH)(OSi)(H)2	C(CCHO)(CHHO)(CH3)(H)	O(SiC[6a]2C)(CCHH)	C(CCCH)(OSi)(H)2	C(CCHO)(CHHO)(CH3)(H)	O(SiC[6a]2C)(CCHH)	110.5960	0.000	1	110.5960	0.000	1	110.5960	0.000	1	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CC[5]HH)(CHHO)(NH3)(H)	O(CC[6]HH)(CCHH)	C(CCHN)(OC)(H)2	C(CC[5]HH)(CHHO)(NH3)(H)	O(CC[6]HH)(CCHH)	107.1200	0.064	2	107.1200	0.004	2	107.3773	0.090	4	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:	C(CCHN)(OC)(H)2	C(CC[5]HH)(CHHO)(NH3)(H)	O(CC[6a]HH)(CCHH)	C(CCHN)(OC)(H)2	C(CC[5]HH)(CHHO)(NH3)(H)	O(CC[6a]HH)(CCHH)	107.6345	0.030	2	107.6345	0.001	2	107.3773	0.090	4	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:P-4:	C(CCHN)(OP)(H)2	C(CC[5]HH)(CHHO)(NH3)(H)	O(CCHH)(PO3)	C(CCHN)(OP)(H)2	C(CC[5]HH)(CHHO)(NH3)(H)	O(CCHH)(PO3)	108.3910	0.313	2	108.3910	0.098	2	108.4880	0.077	3	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:P-4:	C(CCHN)(OP)(H)2	C(CC[5a]HH)(CHHO)(NH3)(H)	O(CCHH)(PO3)	C(CCHN)(OP)(H)2	C(CC[5a]HH)(CHHO)(NH3)(H)	O(CCHH)(PO3)	108.6820	0.000	1	108.6820	0.000	1	108.4880	0.077	3	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:S-4:	C(CCHN)(OS)(H)2	C(CCHH)(CHHO)(NCHH)(H)	O(CCHH)(SO3)	C(CCHN)(OS)(H)2	C(CCHH)(CHHO)(NCHH)(H)	O(CCHH)(SO3)	108.1110	0.000	1	108.1110	0.000	1	108.1110	0.000	1	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:P-4:C-4:H-1:	C-4:C-4:	C(CCHP)(OC)(H)2	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	O(CCHH)(CH3)	C(CCHP)(OC)(H)2	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	O(CCHH)(CH3)	107.6557	0.734	3	107.6557	0.538	3	107.6557	0.538	3	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:S-4:S-4:H-1:	C-4:C-4:	C(CHSS)(OC)(H)2	C(CHHO)(SCOO)2(H)	O(CCHH)(CH3)	C(CHSS)(OC)(H)2	C(CHHO)(SCOO)2(H)	O(CCHH)(CH3)	107.2320	0.000	1	107.2320	0.000	1	107.2320	0.000	1	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:Si-4:	C(CC[3]CH)(OSi)(H)2	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	O(CCHH)(SiC3)	C(CC[3]CH)(OSi)(H)2	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	O(CCHH)(SiC3)	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(H)	O(CCHH)2	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(H)	O(CCHH)2	108.8290	0.506	2	108.8290	0.256	2	108.8290	0.256	2	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	S-4:C-4:	C(CC[5]CH)(OS)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	O(SC[6a]OO)(CCHH)	C(CC[5]CH)(OS)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	O(SC[6a]OO)(CCHH)	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	O(CC[6a]HH)(CCHH)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	O(CC[6a]HH)(CCHH)	109.0195	1.276	2	109.0195	1.629	2	109.0195	1.629	2	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:	C(CC[6]CH)(OC[6])(H)2	C(C[6]C[6,6]C[6]N)(CHHO)(CF3)(H)	O(C[6]C[6,6]C[6]H)(CCHH)	C(CC[6]CH)(OC[6])(H)2	C(C[6]C[6,6]C[6]N)(CHHO)(CF3)(H)	O(C[6]C[6,6]C[6]H)(CCHH)	108.7500	0.000	1	108.7500	0.000	1	108.7500	0.000	1	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	S-4:C-4:	C(CC[6]CH)(OS)(H)2	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	O(SC[6a]OO)(CCHH)	C(CC[6]CH)(OS)(H)2	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	O(SC[6a]OO)(CCHH)	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	108.7695	1.467	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:1:	5:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	P-5:C-4:	C(CCCH)(OP)(H)2	C(CHHO)(CH3)2(H)	O(PO3U)(CCHH)	C(CCCH)(OP)(H)2	C(CHHO)(CH3)2(H)	O(PO3U)(CCHH)	108.5738	0.953	6	108.5738	0.909	6	108.5738	0.909	6	108.5738	0.909	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:2:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(OH)(H)2	C(CCHH)(CHHO)(CH3)(OH)	O(CCHH)(H)	C(CCCO)(OH)(H)2	C(CCHH)(CHHO)(CH3)(OH)	O(CCHH)(H)	112.5730	3.991	2	112.5730	15.927	2	112.4184	5.755	5	112.5066	4.687	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:2:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(OH)(H)2	C(CCHH)2(CHHO)(OH)	O(CCHH)(H)	C(CCCO)(OH)(H)2	C(CCHH)2(CHHO)(OH)	O(CCHH)(H)	110.2920	0.000	1	110.2920	0.000	1	112.4184	5.755	5	112.5066	4.687	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:2:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(OH)(H)2	C(CHHN)(CHHO)2(OH)	O(CCHH)(H)	C(CCCO)(OH)(H)2	C(CHHN)(CHHO)2(OH)	O(CCHH)(H)	113.3270	0.933	2	113.3270	0.871	2	112.4184	5.755	5	112.5066	4.687	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:2:	4:1:	C-4:O-2:H-1:H-1:	C[5,6]-4:C-4:C-4:O-2:	C-4:H-1:	C(CC[5,6]CO)(OH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	O(CCHH)(H)	C(CC[5,6]CO)(OH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	O(CCHH)(H)	112.2945	3.016	2	112.2945	9.095	2	112.2945	9.095	2	112.5066	4.687	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:2:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:N-2:	C-4:H-1:	C(CC[5]CN)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(NN)	O(CCHH)(H)	C(CC[5]CN)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(NN)	O(CCHH)(H)	110.9060	0.000	1	110.9060	0.000	1	110.9060	0.000	1	112.5066	4.687	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:2:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:	C(CC[5]CO)(OH)(H)2	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	O(CCHH)(H)	C(CC[5]CO)(OH)(H)2	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	O(CCHH)(H)	113.8800	0.000	1	113.8800	0.000	1	112.2518	6.348	4	112.5066	4.687	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:2:	4:1:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:	C(CC[5]CO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	O(CCHH)(H)	C(CC[5]CO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	O(CCHH)(H)	111.7090	2.785	3	111.7090	7.755	3	112.2518	6.348	4	112.5066	4.687	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:2:	4:1:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:	C(CC[6]CO)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	O(CCHH)(H)	C(CC[6]CO)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	O(CCHH)(H)	114.2490	0.867	2	114.2490	0.752	2	114.2490	0.752	2	112.5066	4.687	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:2:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:	C(CCCO)(OC)(H)2	C(CCHO)(CHHO)(CF3)(OH)	O(CC[6a]HH)(CCHH)	C(CCCO)(OC)(H)2	C(CCHO)(CHHO)(CF3)(OH)	O(CC[6a]HH)(CCHH)	107.3660	0.000	1	107.3660	0.000	1	107.3660	0.000	1	107.6175	0.127	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:2:	4:4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:N-2:	C-4:C-4:	C(CC[5]CN)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(NN)	O(CC[6a]HH)(CCHH)	C(CC[5]CN)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(NN)	O(CC[6a]HH)(CCHH)	107.8690	0.000	1	107.8690	0.000	1	107.8690	0.000	1	107.6175	0.127	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(CC3)(OH)(H)2	C(CCHH)(CHHO)(CH3)(CCH)	O(CCHH)(H)	C(CC3)(OH)(H)2	C(CCHH)(CHHO)(CH3)(CCH)	O(CCHH)(H)	113.0095	0.793	2	113.0095	0.628	2	113.0095	0.628	2	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CCHH)(CHHO)2(NNiC)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CCHH)(CHHO)2(NNiC)	O(CCHH)(H)	112.7470	0.928	2	112.7470	0.861	2	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NCC)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NCC)	O(CCHH)(H)	112.8094	0.858	5	112.8094	0.736	5	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NCH)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NCH)	O(CCHH)(H)	113.6240	2.156	6	113.6240	4.650	6	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NCO)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NCO)	O(CCHH)(H)	112.9350	2.110	3	112.9350	4.454	3	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)(CHHS)(CH3)(NHS)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)(CHHS)(CH3)(NHS)	O(CCHH)(H)	111.2030	0.000	1	111.2030	0.000	1	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)2(CH3)(NCH)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)2(CH3)(NCH)	O(CCHH)(H)	111.1923	2.458	4	111.1923	6.042	4	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)3(NCC)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)3(NCC)	O(CCHH)(H)	112.5130	0.978	3	112.5130	0.956	3	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)3(NCH)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)3(NCH)	O(CCHH)(H)	111.3941	2.016	67	111.3941	4.064	67	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)3(NCoC)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)3(NCoC)	O(CCHH)(H)	113.6910	0.304	3	113.6910	0.092	3	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)3(NCuC)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)3(NCuC)	O(CCHH)(H)	110.3998	1.761	6	110.3998	3.100	6	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)3(NHH)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)3(NHH)	O(CCHH)(H)	110.5513	1.559	3	110.5513	2.429	3	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)3(NMoC)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)3(NMoC)	O(CCHH)(H)	109.3410	1.496	2	109.3410	2.239	2	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)3(NNiC)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)3(NNiC)	O(CCHH)(H)	112.0439	1.884	20	112.0439	3.550	20	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)3(NNiH)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)3(NNiH)	O(CCHH)(H)	110.7290	0.000	1	110.7290	0.000	1	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)3(NSnC)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)3(NSnC)	O(CCHH)(H)	114.0532	2.837	4	114.0532	8.047	4	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)3(NZnC)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)3(NZnC)	O(CCHH)(H)	111.7419	2.642	8	111.7419	6.978	8	111.7578	4.337	138	111.7756	4.302	140	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:N-3:	C(CC3)(ON)(H)2	C(CHHO)(CH3)2(CNO)	O(CCHH)(NCH)	C(CC3)(ON)(H)2	C(CHHO)(CH3)2(CNO)	O(CCHH)(NCH)	108.8645	0.571	2	108.8645	0.326	2	108.8645	0.326	2	108.8645	0.326	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:	C(CC3)(OC)(H)2	C(CHHO)(CC3)(CH3)(CCO)	O(CC[6a]HH)(CCHH)	C(CC3)(OC)(H)2	C(CHHO)(CC3)(CH3)(CCO)	O(CC[6a]HH)(CCHH)	105.9190	0.574	2	105.9190	0.330	2	107.3102	1.258	6	107.4044	1.111	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:	C(CC3)(OC)(H)2	C(CHHO)(CH3)2(COO)	O(CCHH)2	C(CC3)(OC)(H)2	C(CHHO)(CH3)2(COO)	O(CCHH)2	108.0058	0.228	4	108.0058	0.052	4	107.3102	1.258	6	107.4044	1.111	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:3:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:S-4:	C(CCCN)(OS)(H)2	C(CHHO)(CH3)2(NOO)	O(CCHH)(SCOO)	C(CCCN)(OS)(H)2	C(CHHO)(CH3)2(NOO)	O(CCHH)(SCOO)	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1	107.4044	1.111	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC3)(OH)(H)2	C(CCHH)(CHHO)3	O(CCHH)(H)	C(CC3)(OH)(H)2	C(CCHH)(CHHO)3	O(CCHH)(H)	111.7686	1.192	7	111.7686	1.421	7	112.6201	2.123	40	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC3)(OH)(H)2	C(CCHH)2(CHHO)2	O(CCHH)(H)	C(CC3)(OH)(H)2	C(CCHH)2(CHHO)2	O(CCHH)(H)	113.6882	0.408	8	113.6882	0.166	8	112.6201	2.123	40	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC3)(OH)(H)2	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	O(CCHH)(H)	C(CC3)(OH)(H)2	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	O(CCHH)(H)	113.0020	0.190	2	113.0020	0.036	2	112.6201	2.123	40	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC3)(OH)(H)2	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	O(CCHH)(H)	C(CC3)(OH)(H)2	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	O(CCHH)(H)	111.3300	1.407	2	111.3300	1.980	2	112.6201	2.123	40	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC3)(OH)(H)2	C(CClHH)2(CHHO)2	O(CCHH)(H)	C(CC3)(OH)(H)2	C(CClHH)2(CHHO)2	O(CCHH)(H)	110.5645	0.736	2	110.5645	0.542	2	112.6201	2.123	40	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC3)(OH)(H)2	C(CHHN)3(CHHO)	O(CCHH)(H)	C(CC3)(OH)(H)2	C(CHHN)3(CHHO)	O(CCHH)(H)	111.2940	0.000	1	111.2940	0.000	1	112.6201	2.123	40	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC3)(OH)(H)2	C(CHHO)(CHHP)2(CH3)	O(CCHH)(H)	C(CC3)(OH)(H)2	C(CHHO)(CHHP)2(CH3)	O(CCHH)(H)	113.1130	0.000	1	113.1130	0.000	1	112.6201	2.123	40	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC3)(OH)(H)2	C(CHHO)2(CH3)2	O(CCHH)(H)	C(CC3)(OH)(H)2	C(CHHO)2(CH3)2	O(CCHH)(H)	114.0522	1.048	6	114.0522	1.098	6	112.6201	2.123	40	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC3)(OH)(H)2	C(CHHO)2(CHHS)2	O(CCHH)(H)	C(CC3)(OH)(H)2	C(CHHO)2(CHHS)2	O(CCHH)(H)	111.7130	0.045	2	111.7130	0.002	2	112.6201	2.123	40	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC3)(OH)(H)2	C(CHHO)3(CH3)	O(CCHH)(H)	C(CC3)(OH)(H)2	C(CHHO)3(CH3)	O(CCHH)(H)	112.7427	2.466	3	112.7427	6.079	3	112.6201	2.123	40	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC3)(OH)(H)2	C(CHHO)4	O(CCHH)(H)	C(CC3)(OH)(H)2	C(CHHO)4	O(CCHH)(H)	112.6266	0.639	5	112.6266	0.409	5	112.6201	2.123	40	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC3)(OH)(H)2	C(CN[6]HH)2(CHHO)2	O(CCHH)(H)	C(CC3)(OH)(H)2	C(CN[6]HH)2(CHHO)2	O(CCHH)(H)	109.6200	0.000	1	109.6200	0.000	1	112.6201	2.123	40	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NH3)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NH3)	O(CCHH)(H)	112.3617	1.378	7	112.3617	1.900	7	111.8057	2.227	43	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)3(NCCH)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)3(NCCH)	O(CCHH)(H)	111.0810	2.616	3	111.0810	6.841	3	111.8057	2.227	43	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)3(NCHH)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)3(NCHH)	O(CCHH)(H)	110.6917	1.728	3	110.6917	2.987	3	111.8057	2.227	43	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:H-1:	C(CCCN)(OH)(H)2	C(CHHO)3(NH3)	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(CHHO)3(NH3)	O(CCHH)(H)	111.8599	1.376	30	111.8599	1.894	30	111.8057	2.227	43	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:H-1:	C(CC[3]CC)(OH)(H)2	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	O(CCHH)(H)	C(CC[3]CC)(OH)(H)2	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	O(CCHH)(H)	110.8070	2.647	2	110.8070	7.009	2	110.8070	7.009	2	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:H-1:	C(CCCN)(OH)(H)2	C(NFeCH)(CHHO)3	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(NFeCH)(CHHO)3	O(CCHH)(H)	110.7815	1.081	2	110.7815	1.169	2	111.4087	1.764	3	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:1:	C-4:O-2:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:H-1:	C(CCCN)(OH)(H)2	C(NNiHH)(CHHO)3	O(CCHH)(H)	C(CCCN)(OH)(H)2	C(NNiHH)(CHHO)3	O(CCHH)(H)	112.6630	0.000	1	112.6630	0.000	1	111.4087	1.764	3	112.1397	2.369	88	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:3:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:N-3:	C(CC3)(ON)(H)2	C(CHHO)4	O(CCHH)(NOO)	C(CC3)(ON)(H)2	C(CHHO)4	O(CCHH)(NOO)	106.7090	0.000	1	106.7090	0.000	1	106.7090	0.000	1	106.7090	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(CC3)(OC)(H)2	C(CCCH)(CHHO)(CH3)2	O(CCHH)2	C(CC3)(OC)(H)2	C(CCCH)(CHHO)(CH3)2	O(CCHH)2	112.9320	0.000	1	112.9320	0.000	1	109.7175	1.128	30	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(CC3)(OC)(H)2	C(CCHH)2(CHHO)2	O(CCHH)(CH3)	C(CC3)(OC)(H)2	C(CCHH)2(CHHO)2	O(CCHH)(CH3)	109.5222	0.406	4	109.5222	0.164	4	109.7175	1.128	30	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(CC3)(OC)(H)2	C(CHHN)(CHHO)(CH3)2	O(CCHH)2	C(CC3)(OC)(H)2	C(CHHN)(CHHO)(CH3)2	O(CCHH)2	109.7360	1.457	3	109.7360	2.122	3	109.7175	1.128	30	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(CC3)(OC)(H)2	C(CHHN)(CHHO)(CH3)2	O(CC[6a]HH)(CCHH)	C(CC3)(OC)(H)2	C(CHHN)(CHHO)(CH3)2	O(CC[6a]HH)(CCHH)	111.2660	0.000	1	111.2660	0.000	1	109.7175	1.128	30	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(CC3)(OC)(H)2	C(CHHO)(CH3)3	O(CC[6a]2H)(CCHH)	C(CC3)(OC)(H)2	C(CHHO)(CH3)3	O(CC[6a]2H)(CCHH)	109.5570	0.000	1	109.5570	0.000	1	109.7175	1.128	30	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(CC3)(OC)(H)2	C(CHHO)(CHHP)3	O(CCHH)2	C(CC3)(OC)(H)2	C(CHHO)(CHHP)3	O(CCHH)2	109.7820	0.000	1	109.7820	0.000	1	109.7175	1.128	30	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(CC3)(OC)(H)2	C(CHHO)2(CH3)2	O(CCHH)2	C(CC3)(OC)(H)2	C(CHHO)2(CH3)2	O(CCHH)2	109.4918	0.700	13	109.4918	0.490	13	109.7175	1.128	30	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(CC3)(OC)(H)2	C(CHHO)4	O(CCHH)2	C(CC3)(OC)(H)2	C(CHHO)4	O(CCHH)2	109.8637	1.545	4	109.8637	2.386	4	109.7175	1.128	30	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(CC3)(OC)(H)2	C(CHHO)4	O(CC[6a]HH)(CCHH)	C(CC3)(OC)(H)2	C(CHHO)4	O(CC[6a]HH)(CCHH)	108.9215	0.035	2	108.9215	0.001	2	109.7175	1.128	30	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:P-4:	C(CC3)(OP)(H)2	C(CBrHH)(CHHO)(CH3)2	O(CCHH)(PCOO)	C(CC3)(OP)(H)2	C(CBrHH)(CHHO)(CH3)2	O(CCHH)(PCOO)	106.5350	0.000	1	106.5350	0.000	1	109.3942	4.119	4	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:P-4:	C(CC3)(OP)(H)2	C(CHHO)(CH3)3	O(CCHH)(POOS)	C(CC3)(OP)(H)2	C(CHHO)(CH3)3	O(CCHH)(POOS)	110.7015	0.839	2	110.7015	0.704	2	109.3942	4.119	4	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:P-4:	C(CC3)(OP)(H)2	C(CHHO)2(CH3)2	O(CCHH)(PHOO)	C(CC3)(OP)(H)2	C(CHHO)2(CH3)2	O(CCHH)(PHOO)	109.6390	0.000	1	109.6390	0.000	1	109.3942	4.119	4	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:S-4:	C(CC3)(OS)(H)2	C(CHHO)(CH3)3	O(CCHH)(SCOO)	C(CC3)(OS)(H)2	C(CHHO)(CH3)3	O(CCHH)(SCOO)	108.1835	0.619	2	108.1835	0.383	2	107.7924	1.084	5	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:S-4:	C(CC3)(OS)(H)2	C(CHHO)2(CH3)2	O(CCHH)(SCNO)	C(CC3)(OS)(H)2	C(CHHO)2(CH3)2	O(CCHH)(SCNO)	108.9850	0.000	1	108.9850	0.000	1	107.7924	1.084	5	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:S-4:	C(CC3)(OS)(H)2	C(CHHO)3(CH3)	O(CCHH)(SCOO)	C(CC3)(OS)(H)2	C(CHHO)3(CH3)	O(CCHH)(SCOO)	106.8050	0.526	2	106.8050	0.277	2	107.7924	1.084	5	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:Si-4:	C(CC3)(OSi)(H)2	C(CCHO)(CHHO)(CH3)2	O(CCHH)(SiC3)	C(CC3)(OSi)(H)2	C(CCHO)(CHHO)(CH3)2	O(CCHH)(SiC3)	109.8660	0.000	1	109.8660	0.000	1	109.8175	0.005	2	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:Si-4:	C(CC3)(OSi)(H)2	C(CHHO)4	O(CCHH)(SiC3)	C(CC3)(OSi)(H)2	C(CHHO)4	O(CCHH)(SiC3)	109.7690	0.000	1	109.7690	0.000	1	109.8175	0.005	2	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	P-4:C-4:	C(CC3)(OP)(H)2	C(CHHO)(CH3)3	O(PC[6a]3)(CCHH)	C(CC3)(OP)(H)2	C(CHHO)(CH3)3	O(PC[6a]3)(CCHH)	110.2565	0.838	2	110.2565	0.702	2	110.2705	1.312	13	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	P-4:C-4:	C(CC3)(OP)(H)2	C(CHHO)(CH3)3	O(PCoOO)(CCHH)	C(CC3)(OP)(H)2	C(CHHO)(CH3)3	O(PCoOO)(CCHH)	109.5193	0.702	3	109.5193	0.493	3	110.2705	1.312	13	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	P-4:C-4:	C(CC3)(OP)(H)2	C(CHHO)2(CH3)2	O(PC[6a]SS)(CCHH)	C(CC3)(OP)(H)2	C(CHHO)2(CH3)2	O(PC[6a]SS)(CCHH)	110.5558	1.293	8	110.5558	1.673	8	110.2705	1.312	13	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	S-4:C-4:	C(CC3)(OS)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	O(SC[6a]OO)(CCHH)	C(CC3)(OS)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	O(SC[6a]OO)(CCHH)	107.0590	0.000	1	107.0590	0.000	1	107.7807	1.572	23	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	S-4:C-4:	C(CC3)(OS)(H)2	C(CHHO)(CHHS)2(CH3)	O(SC[6a]OO)(CCHH)	C(CC3)(OS)(H)2	C(CHHO)(CHHS)2(CH3)	O(SC[6a]OO)(CCHH)	110.6160	0.000	1	110.6160	0.000	1	107.7807	1.572	23	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	S-4:C-4:	C(CC3)(OS)(H)2	C(CHHO)3(CH3)	O(SC[6a]OO)(CCHH)	C(CC3)(OS)(H)2	C(CHHO)3(CH3)	O(SC[6a]OO)(CCHH)	107.6851	0.914	8	107.6851	0.835	8	107.7807	1.572	23	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	S-4:C-4:	C(CC3)(OS)(H)2	C(CHHO)4	O(SC[6a]OO)(CCHH)	C(CC3)(OS)(H)2	C(CHHO)4	O(SC[6a]OO)(CCHH)	107.6769	1.290	13	107.6769	1.664	13	107.7807	1.572	23	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:C-4:	C(CCCN)(OC)(H)2	C(CHHO)(CH3)2(NH3)	O(CCHH)(CH3)	C(CCCN)(OC)(H)2	C(CHHO)(CH3)2(NH3)	O(CCHH)(CH3)	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:	C(CC[6]CC)(OC)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	O(CCHH)(CH3)	C(CC[6]CC)(OC)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	O(CCHH)(CH3)	112.2800	0.000	1	112.2800	0.000	1	110.8580	1.526	3	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	4:4:4:4:	4:4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:	C(CC[6]CC)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	O(CCHH)(CH3)	C(CC[6]CC)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	O(CCHH)(CH3)	110.1470	0.140	2	110.1470	0.020	2	110.8580	1.526	3	109.1617	2.388	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	5:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	As[5,5]-5:C-4:H-1:H-1:	C-4:H-1:	C(CAs[5,5]HH)(OH)(H)2	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	O(CCHH)(H)	C(CAs[5,5]HH)(OH)(H)2	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	O(CCHH)(H)	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	6:4:1:1:	4:1:	C-4:O-2:H-1:H-1:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:H-1:	C(CC[3x3,3x5,12x6]HH)(OH)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(CHHO)(H)2	O(CCHH)(H)	C(CC[3x3,3x5,12x6]HH)(OH)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(CHHO)(H)2	O(CCHH)(H)	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:1:1:	6:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:C-4:	C(CC[3x3,3x5,12x6]HH)(OC)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHO)(H)2	O(CCHH)(CH3)	C(CC[3x3,3x5,12x6]HH)(OC)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHO)(H)2	O(CCHH)(CH3)	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	3:3:4:1:	4:4:	C-4:O-2:O-2:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:C-4:	C(CC[6a]CH)(OC)2(H)	C(C[6a]C[6a]2)(CN[5]O)(CHOO)(H)	O(CCHO)(CH3)	C(CC[6a]CH)(OC)2(H)	C(C[6a]C[6a]2)(CN[5]O)(CHOO)(H)	O(CCHO)(CH3)	109.3825	4.997	2	109.3825	24.971	2	109.3825	24.971	2	109.3825	24.971	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	3:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(OC)2(H)	C(C[6a]C[6a]2)(CHOO)(H)2	O(CCHO)(CH3)	C(CC[6a]HH)(OC)2(H)	C(C[6a]C[6a]2)(CHOO)(H)2	O(CCHO)(CH3)	111.0090	5.491	2	111.0090	30.155	2	111.0090	30.155	2	108.4662	6.354	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	3:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)2(H)	C(NC[3,6]C)(CHOO)(H)2	O(CCHO)(CH3)	C(CHHN)(OC)2(H)	C(NC[3,6]C)(CHOO)(H)2	O(CCHO)(CH3)	105.9940	1.024	2	105.9940	1.048	2	105.9940	1.048	2	108.4662	6.354	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	3:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5]HH)(OC)2(H)	C(N[5]C[5,6]C[5])(CHOO)(H)2	O(CCHO)(CH3)	C(CN[5]HH)(OC)2(H)	C(N[5]C[5,6]C[5])(CHOO)(H)2	O(CCHO)(CH3)	108.0150	1.406	2	108.0150	1.976	2	108.5776	3.417	8	108.4662	6.354	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	3:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5]HH)(OC)2(H)	C(N[5]C[5,6a]C[5])(CHOO)(H)2	O(CCHO)(CH3)	C(CN[5]HH)(OC)2(H)	C(N[5]C[5,6a]C[5])(CHOO)(H)2	O(CCHO)(CH3)	108.1950	1.488	4	108.1950	2.213	4	108.5776	3.417	8	108.4662	6.354	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	3:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5]HH)(OC)2(H)	C(N[5]C[5]2)(CHOO)(H)2	O(CCHO)(CH3)	C(CN[5]HH)(OC)2(H)	C(N[5]C[5]2)(CHOO)(H)2	O(CCHO)(CH3)	109.9055	3.249	2	109.9055	10.557	2	108.5776	3.417	8	108.4662	6.354	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	3:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[6]HH)(OC)2(H)	C(N[6]C[6,6]C[6])(CHOO)(H)2	O(CCHO)(CH3)	C(CN[6]HH)(OC)2(H)	C(N[6]C[6,6]C[6])(CHOO)(H)2	O(CCHO)(CH3)	107.9500	1.301	2	107.9500	1.693	2	107.9500	1.693	2	108.4662	6.354	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	3:4:3:2:	4:1:	C-4:C-2:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C(CC[6a]CO)(CC)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OC)	O(CCCH)(H)	C(CC[6a]CO)(CC)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OC)	O(CCCH)(H)	111.9950	0.000	1	111.9950	0.000	1	111.4210	0.659	2	111.4210	0.659	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	3:4:3:2:	4:1:	C-4:C-2:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C(CC[6a]CO)(CC)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	O(CCCH)(H)	C(CC[6a]CO)(CC)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	O(CCCH)(H)	110.8470	0.000	1	110.8470	0.000	1	111.4210	0.659	2	111.4210	0.659	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	3:4:3:2:	4:4:	C-4:O-2:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C(CC[6a]CO)(OC)2(H)	C(C[6a]C[6a]2)(CHOO)(COO)(OC)	O(CCHO)(CH3)	C(CC[6a]CO)(OC)2(H)	C(C[6a]C[6a]2)(CHOO)(COO)(OC)	O(CCHO)(CH3)	107.9183	1.997	6	107.9183	3.987	6	107.9183	3.987	6	107.9183	3.987	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	3:4:4:1:	4:4:	C-4:O-2:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:	C(CC[6a]CH)(OC)2(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	O(CCHO)(CH3)	C(CC[6a]CH)(OC)2(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	O(CCHO)(CH3)	110.6910	3.732	2	110.6910	13.929	2	110.6910	13.929	2	110.6910	13.929	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	3:4:4:4:	4:4:	C-4:O-2:O-2:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:	C(CC[6a]CC)(OC)2(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	O(CCHO)(CH3)	C(CC[6a]CC)(OC)2(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	O(CCHO)(CH3)	108.0600	1.271	2	108.0600	1.616	2	108.0600	1.616	2	108.0600	1.616	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:1:1:1:	4:1:	C-4:C-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)(CC)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CH3)(CC)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	109.1460	1.197	48	109.1460	1.433	48	109.1460	1.433	48	109.1087	1.499	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:1:1:1:	4:1:	C-4:N-2:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:H-1:	C(CCl3)(NC)(OH)(H)	C(CHNO)(Cl)3	O(CCHN)(H)	C(CCl3)(NC)(OH)(H)	C(CHNO)(Cl)3	O(CCHN)(H)	111.1490	0.000	1	111.1490	0.000	1	111.1490	0.000	1	109.1087	1.499	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:1:1:1:	4:1:	C-4:O-2:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:H-1:	C(CCl3)(OH)2(H)	C(CHOO)(Cl)3	O(CCHO)(H)	C(CCl3)(OH)2(H)	C(CHOO)(Cl)3	O(CCHO)(H)	108.4700	1.176	6	108.4700	1.384	6	108.4700	1.384	6	109.1087	1.499	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:1:1:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(OC)2(H)	C(CHOO)(H)3	O(CCHO)2	C(CH3)(OC)2(H)	C(CHOO)(H)3	O(CCHO)2	106.8040	0.170	2	106.8040	0.029	2	106.8040	0.029	2	106.8040	0.029	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:2:2:1:	4:1:	C-4:C-2:O-2:H-1:	C-4:C-2:O-2:H-1:	C-4:H-1:	C(CCHO)(CN)(OH)(H)	C(CCHO)(CN)(OH)(H)	O(CCCH)(H)	C(CCHO)(CN)(OH)(H)	C(CCHO)(CN)(OH)(H)	O(CCCH)(H)	110.3280	0.000	1	110.3280	0.000	1	110.3280	0.000	1	110.3280	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:2:2:1:	4:3:	C-4:O-2:O-2:H-1:	C-4:O-2:O-2:H-1:	C-4:N-3:	C(CHOO)(ON)2(H)	C(CHOO)(ON)2(H)	O(CCHO)(NOO)	C(CHOO)(ON)2(H)	C(CHOO)(ON)2(H)	O(CCHO)(NOO)	105.6255	2.198	2	105.6255	4.833	2	105.6255	4.833	2	105.6255	4.833	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:2:2:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:O-2:O-2:H-1:	C-4:C-4:	C(CHOO)(OC)2(H)	C(CHOO)(OC)2(H)	O(CCHH)(CCHO)	C(CHOO)(OC)2(H)	C(CHOO)(OC)2(H)	O(CCHH)(CCHO)	117.6100	4.923	2	117.6100	24.235	2	118.1937	8.579	4	118.1937	8.579	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:2:2:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:O-2:O-2:H-1:	C-4:C-4:	C(CHOO)(OC)2(H)	C(CHOO)(OC)2(H)	O(CC[6]HH)(CCHO)	C(CHOO)(OC)2(H)	C(CHOO)(OC)2(H)	O(CC[6]HH)(CCHO)	118.7775	0.374	2	118.7775	0.140	2	118.1937	8.579	4	118.1937	8.579	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:3:1:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)2(H)	C(CHOO)(NCC)(H)2	O(CCHH)(CCHO)	C(CHHN)(OC)2(H)	C(CHOO)(NCC)(H)2	O(CCHH)(CCHO)	110.6093	3.956	4	110.6093	15.653	4	109.2445	6.199	26	109.2445	6.199	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:3:1:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)2(H)	C(CHOO)(NCH)(H)2	O(CCHH)(CCHO)	C(CHHN)(OC)2(H)	C(CHOO)(NCH)(H)2	O(CCHH)(CCHO)	108.6891	1.835	14	108.6891	3.366	14	109.2445	6.199	26	109.2445	6.199	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:3:1:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)2(H)	C(CHOO)(NCH)(H)2	O(CCHO)(CH3)	C(CHHN)(OC)2(H)	C(CHOO)(NCH)(H)2	O(CCHO)(CH3)	110.0650	3.415	2	110.0650	11.664	2	109.2445	6.199	26	109.2445	6.199	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:3:1:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)2(H)	C(CHOO)(NCS)(H)2	O(CCHH)(CCHO)	C(CHHN)(OC)2(H)	C(CHOO)(NCS)(H)2	O(CCHH)(CCHO)	108.3445	2.914	2	108.3445	8.491	2	109.2445	6.199	26	109.2445	6.199	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:3:1:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)2(H)	C(CHOO)(NHP)(H)2	O(CCHO)(CH3)	C(CHHN)(OC)2(H)	C(CHOO)(NHP)(H)2	O(CCHO)(CH3)	109.8635	3.046	4	109.8635	9.275	4	109.2445	6.199	26	109.2445	6.199	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:3:2:1:	4:1:	C-4:C-2:O-2:H-1:	C-4:C-3:C-2:H-1:	C-4:H-1:	C(CCCH)(CC)(OH)(H)	C(CCHO)(CCH)(CC)(H)	O(CCCH)(H)	C(CCCH)(CC)(OH)(H)	C(CCHO)(CCH)(CC)(H)	O(CCCH)(H)	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:3:3:1:	4:1:	C-4:C-2:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(CCHN)(CC)(OH)(H)	C(CCHO)(COO)(NHS)(H)	O(CCCH)(H)	C(CCHN)(CC)(OH)(H)	C(CCHO)(COO)(NHS)(H)	O(CCCH)(H)	109.6660	0.000	2	109.6660	0.000	2	109.6660	0.000	2	109.6660	0.000	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:3:4:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:C-4:	C(CCCH)(OC)2(H)	C(CC[6a]CH)(CC[5]H)(CHOO)(H)	O(CCHO)(CH3)	C(CCCH)(OC)2(H)	C(CC[6a]CH)(CC[5]H)(CHOO)(H)	O(CCHO)(CH3)	110.4770	4.695	2	110.4770	22.045	2	110.4770	22.045	2	110.4770	22.045	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	3:4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	N-3:C-4:	C(CCHH)(OC)(ON)(H)	C(CCHH)(CHOO)(H)2	O(NC[6a]C)(CCHO)	C(CCHH)(OC)(ON)(H)	C(CCHH)(CHOO)(H)2	O(NC[6a]C)(CCHO)	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:1:	C-4:C-2:O-2:H-1:	C-4:C-4:Cl-1:Cl-1:	C-4:H-1:	C(CCl2C)(CC)(OH)(H)	C(CCCH)(CCHO)(Cl)2	O(CCCH)(H)	C(CCl2C)(CC)(OH)(H)	C(CCCH)(CCHO)(Cl)2	O(CCCH)(H)	110.5580	0.000	1	110.5580	0.000	1	110.5580	0.000	1	108.9255	5.813	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:1:	C-4:C-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CC)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CC)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	109.5675	2.331	2	109.5675	5.435	2	109.5675	5.435	2	108.9255	5.813	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:1:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(OC)(OH)(H)	C(CCHH)(CHOO)(H)2	O(CCHO)(H)	C(CCHH)(OC)(OH)(H)	C(CCHH)(CHOO)(H)2	O(CCHO)(H)	106.6800	0.000	1	106.6800	0.000	1	106.6800	0.000	1	108.9255	5.813	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:1:	C-4:O-2:O-2:H-1:	C-4:P-4:F-1:F-1:	C-4:H-1:	C(CFFP)(OH)2(H)	C(CHOO)(PO3)(F)2	O(CCHO)(H)	C(CFFP)(OH)2(H)	C(CHOO)(PO3)(F)2	O(CCHO)(H)	108.5900	3.857	2	108.5900	14.873	2	108.5900	14.873	2	108.9255	5.813	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:4:	C-4:C-2:O-2:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:	C(CCHH)(CN)(OS)(H)	C(CCHN)(CCHO)(H)2	O(SC[6a]OO)(CCCH)	C(CCHH)(CN)(OS)(H)	C(CCHN)(CCHO)(H)2	O(SC[6a]OO)(CCCH)	106.3770	0.000	1	106.3770	0.000	1	106.3770	0.000	1	109.2845	10.055	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:4:	C-4:C-2:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(CN)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)2	C(CC[5]HH)(CN)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)2	111.6000	0.214	3	111.6000	0.046	3	111.6000	0.046	3	109.2845	10.055	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(OH)(H)	C(CCHH)(CHOO)(H)2	O(CCHH)(CCHO)	C(CCHH)(OC)(OH)(H)	C(CCHH)(CHOO)(H)2	O(CCHH)(CCHO)	112.5640	0.000	1	112.5640	0.000	1	109.7188	8.273	18	109.2845	10.055	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)(ON)(H)	C(CCHH)(CHOO)(H)2	O(CCHH)(CCHO)	C(CCHH)(OC)(ON)(H)	C(CCHH)(CHOO)(H)2	O(CCHH)(CCHO)	108.8260	0.000	1	108.8260	0.000	1	109.7188	8.273	18	109.2845	10.055	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)2(H)	C(CCCO)(CHOO)(H)2	O(CCHH)(CCHO)	C(CCHH)(OC)2(H)	C(CCCO)(CHOO)(H)2	O(CCHH)(CCHO)	105.7295	0.278	2	105.7295	0.077	2	109.7188	8.273	18	109.2845	10.055	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)2(H)	C(CCCO)(CHOO)(H)2	O(CCHO)(CC3)	C(CCHH)(OC)2(H)	C(CCCO)(CHOO)(H)2	O(CCHO)(CC3)	109.6985	0.107	2	109.6985	0.011	2	109.7188	8.273	18	109.2845	10.055	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)2(H)	C(CCHH)(CHOO)(H)2	O(CCHH)(CCHO)	C(CCHH)(OC)2(H)	C(CCHH)(CHOO)(H)2	O(CCHH)(CCHO)	110.7660	4.900	2	110.7660	24.012	2	109.7188	8.273	18	109.2845	10.055	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)2(H)	C(CCHH)(CHOO)(H)2	O(CCHO)(CH3)	C(CCHH)(OC)2(H)	C(CCHH)(CHOO)(H)2	O(CCHO)(CH3)	110.0930	3.869	2	110.0930	14.971	2	109.7188	8.273	18	109.2845	10.055	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)2(H)	C(CCHO)(CHOO)(H)2	O(CCHO)(CH3)	C(CCHH)(OC)2(H)	C(CCHO)(CHOO)(H)2	O(CCHO)(CH3)	110.3890	1.697	2	110.3890	2.880	2	109.7188	8.273	18	109.2845	10.055	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)2(H)	C(CC[6]HH)(CHOO)(H)2	O(CCHH)(CCHO)	C(CCHH)(OC)2(H)	C(CC[6]HH)(CHOO)(H)2	O(CCHH)(CCHO)	109.6423	2.867	4	109.6423	8.218	4	109.7188	8.273	18	109.2845	10.055	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(OC)2(H)	C(CC[6]HH)(CHOO)(H)2	O(CCHO)(CH3)	C(CCHH)(OC)2(H)	C(CC[6]HH)(CHOO)(H)2	O(CCHO)(CH3)	110.8140	5.245	2	110.8140	27.513	2	109.7188	8.273	18	109.2845	10.055	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(OC)2(H)	C(C[5]C[5,6a]C[5,5]C)(CHOO)(H)2	O(CCHO)(CH3)	C(CC[5]HH)(OC)2(H)	C(C[5]C[5,6a]C[5,5]C)(CHOO)(H)2	O(CCHO)(CH3)	108.6887	3.382	4	108.6887	11.437	4	108.6887	11.437	4	109.2845	10.055	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6]HH)(OC)2(H)	C(C[6]C[6]2H)(CHOO)(H)2	O(CCHO)(CH3)	C(CC[6]HH)(OC)2(H)	C(C[6]C[6]2H)(CHOO)(H)2	O(CCHO)(CH3)	110.3070	4.764	2	110.3070	22.700	2	110.3070	22.700	2	109.2845	10.055	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)2(H)	C(NCoCH)(CHOO)(H)2	O(CCHO)(CH3)	C(CHHN)(OC)2(H)	C(NCoCH)(CHOO)(H)2	O(CCHO)(CH3)	105.2215	0.407	2	105.2215	0.165	2	107.3645	16.103	6	109.2845	10.055	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:1:1:	4:4:	C-4:O-2:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(OC)2(H)	C(NCoHH)(CHOO)(H)2	O(CCHH)(CCHO)	C(CHHN)(OC)2(H)	C(NCoHH)(CHOO)(H)2	O(CCHH)(CCHO)	108.4360	4.711	4	108.4360	22.191	4	107.3645	16.103	6	109.2845	10.055	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:2:1:	4:1:	C-4:C-2:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CC)(OH)(H)	C(CCHO)(CH3)(OC)(H)	O(CCCH)(H)	C(CCHO)(CC)(OH)(H)	C(CCHO)(CH3)(OC)(H)	O(CCCH)(H)	108.0640	0.000	1	108.0640	0.000	1	108.0640	0.000	1	108.0640	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:2:1:	4:4:	C-4:C-2:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(CC)(OC)(H)	C(CCHO)(CHHN)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CC)(OC)(H)	C(CCHO)(CHHN)(OC)(H)	O(CCCH)(CH3)	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:3:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:C-3:Br-1:	C-4:C-4:	C(CBrCC)(OC[6])(OC)(H)	C(CHOO)(CH3)(CCO)(Br)	O(CCHH)(CCHO)	C(CBrCC)(OC[6])(OC)(H)	C(CHOO)(CH3)(CCO)(Br)	O(CCHH)(CCHO)	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	108.0398	7.824	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:3:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:C-3:Br-1:	C[6]-4:C-4:	C(CBrCC)(OC[6])(OC)(H)	C(CHOO)(CH3)(CCO)(Br)	O(C[6]C[6]O[6]H)(CCHO)	C(CBrCC)(OC[6])(OC)(H)	C(CHOO)(CH3)(CCO)(Br)	O(C[6]C[6]O[6]H)(CCHO)	112.5750	0.000	1	112.5750	0.000	1	112.5750	0.000	1	108.0398	7.824	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:3:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(OC)2(H)	C(CCHH)(CHOO)(NCC)(H)	O(CCHO)(CH3)	C(CCHN)(OC)2(H)	C(CCHH)(CHOO)(NCC)(H)	O(CCHO)(CH3)	107.4160	0.137	2	107.4160	0.019	2	107.1685	4.805	4	108.0398	7.824	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:3:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(OC)2(H)	C(CCHO)(CHOO)(NOO)(H)	O(CCHO)(CH3)	C(CCHN)(OC)2(H)	C(CCHO)(CHOO)(NOO)(H)	O(CCHO)(CH3)	106.9210	3.762	2	106.9210	14.151	2	107.1685	4.805	4	108.0398	7.824	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:4:1:	4:1:	C-4:C-2:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CC)(OH)(H)	C(CCCO)(CCHH)(CCHO)(H)	O(CCCH)(H)	C(CCCH)(CC)(OH)(H)	C(CCCO)(CCHH)(CCHO)(H)	O(CCCH)(H)	113.0185	0.036	2	113.0185	0.001	2	112.5810	0.575	3	112.5810	0.575	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:4:1:	4:1:	C-4:C-2:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CC)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	C(CCCH)(CC)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	111.7060	0.000	1	111.7060	0.000	1	112.5810	0.575	3	112.5810	0.575	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:4:1:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(OC)2(H)	C(CHOO)(CH3)2(H)	O(CC[3]HH)(CCHO)	C(CCCH)(OC)2(H)	C(CHOO)(CH3)2(H)	O(CC[3]HH)(CCHO)	108.4518	0.939	6	108.4518	0.882	6	108.4518	0.882	6	108.8524	1.728	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:4:1:	4:4:	C-4:O-2:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:	C(CC[5]CH)(OC)2(H)	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	O(CCHO)(CH3)	C(CC[5]CH)(OC)2(H)	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	O(CCHO)(CH3)	109.4532	1.706	4	109.4532	2.911	4	109.4532	2.911	4	108.8524	1.728	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:4:2:	4:1:	C-4:C-2:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CC)(OH)(H)	C(CCHH)(CCHO)(CH3)(OC)	O(CCCH)(H)	C(CCCO)(CC)(OH)(H)	C(CCHH)(CCHO)(CH3)(OC)	O(CCCH)(H)	111.5770	0.000	1	111.5770	0.000	1	111.5770	0.000	1	111.5770	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:4:3:	4:1:	C-4:O-2:O-2:H-1:	N-4:C-4:C-4:C-3:	C-4:H-1:	C(CCCN)(OH)2(H)	C(NCoHH)(CHOO)(CH3)(COO)	O(CCHO)(H)	C(CCCN)(OH)2(H)	C(NCoHH)(CHOO)(CH3)(COO)	O(CCHO)(H)	107.4832	0.921	4	107.4832	0.849	4	107.4832	0.849	4	107.4832	0.849	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:1:	4:4:4:4:	4:4:	C-4:O-2:O-2:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:	C(CC[5]CC)(OC)2(H)	C(C[5]C[5]2Zr)(CHOO)(CH3)2	O(CCHO)(CH3)	C(CC[5]CC)(OC)2(H)	C(C[5]C[5]2Zr)(CHOO)(CH3)2	O(CCHO)(CH3)	109.1575	3.689	2	109.1575	13.609	2	109.1575	13.609	2	109.1575	13.609	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:2:	4:1:1:1:	4:4:	C-4:C-2:C-2:O-2:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(CF3)(CC)2(OC)	C(CCCO)(F)3	O(CC3)(CH3)	C(CF3)(CC)2(OC)	C(CCCO)(F)3	O(CC3)(CH3)	102.9060	0.000	1	102.9060	0.000	1	102.9060	0.000	1	102.9060	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:2:2:	4:4:1:1:	4:4:	C-4:C-2:C-2:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CC)2(OC)	C(CCCO)(CCHH)(H)2	O(CC[6a]HH)(CC3)	C(CCHH)(CC)2(OC)	C(CCCO)(CCHH)(H)2	O(CC[6a]HH)(CC3)	104.6790	0.000	1	104.6790	0.000	1	104.6790	0.000	1	104.6790	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:3:1:	3:4:1:1:	3:4:	C-4:O-2:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	N[6]-3:C-4:	C(CC[5a]HH)(ON[6])(CHO)(H)	C(C[5a]C[5a]N[5a])(CCHO)(H)2	O(N[6]C[6]2)(CCCH)	C(CC[5a]HH)(ON[6])(CHO)(H)	C(C[5a]C[5a]N[5a])(CCHO)(H)2	O(N[6]C[6]2)(CCCH)	106.4950	0.000	1	106.4950	0.000	1	106.4950	0.000	1	106.4950	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:3:1:	3:4:1:1:	4:4:	C-4:O-2:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:	C(CC[6a]HH)(OC[6])(CCH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(C[6]C[6]O[6]C)(CCCH)	C(CC[6a]HH)(OC[6])(CCH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(C[6]C[6]O[6]C)(CCCH)	106.8450	0.699	2	106.8450	0.488	2	106.8450	0.488	2	106.8450	0.488	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:3:1:	4:4:1:1:	4:4:	C-4:O-2:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(CC[6]HH)(OC[6])(CCH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	O(C[6]C[6]O[6]H)(CCCH)	C(CC[6]HH)(OC[6])(CCH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	O(C[6]C[6]O[6]H)(CCCH)	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:1:	3:4:2:1:	3:4:	C-4:O-2:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	N[6]-3:C-4:	C(CC[6a]HO)(ON[6])(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(N[6]C[6]2)(CCCH)	C(CC[6a]HO)(ON[6])(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(N[6]C[6]2)(CCCH)	104.1600	0.000	1	104.1600	0.000	1	104.1600	0.000	1	104.1600	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:1:	4:1:1:1:	3:4:	C-4:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:	C(CC[6a]HO)(ON[6])(CH3)(H)	C(CCHO)(H)3	O(N[6]C[6]2)(CCCH)	C(CC[6a]HO)(ON[6])(CH3)(H)	C(CCHO)(H)3	O(N[6]C[6]2)(CCCH)	114.1640	0.000	1	114.1640	0.000	1	114.1640	0.000	1	114.1640	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:1:	4:1:1:1:	4:4:	C-4:O-2:C-4:H-1:	C-4:Br-1:H-1:H-1:	C[6]-4:C-4:	C(CBrHH)(OC[6])(CH3)(H)	C(CCHO)(Br)(H)2	O(C[6]C[6]O[6]H)(CCCH)	C(CBrHH)(OC[6])(CH3)(H)	C(CCHO)(Br)(H)2	O(C[6]C[6]O[6]H)(CCCH)	106.4170	0.000	1	106.4170	0.000	1	106.4170	0.000	1	106.4667	0.431	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:1:	4:1:1:1:	4:4:	C-4:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(CBrHH)(OC[6])(CH3)(H)	C(CCHO)(H)3	O(C[6]C[6]O[6]H)(CCCH)	C(CBrHH)(OC[6])(CH3)(H)	C(CCHO)(H)3	O(C[6]C[6]O[6]H)(CCCH)	107.3920	0.000	1	107.3920	0.000	1	107.3920	0.000	1	106.4667	0.431	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	C(CC[5]HO)(H)3	O(C[6]C[6,6a]O[6]H)(CC[5]CH)	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	C(CC[5]HO)(H)3	O(C[6]C[6,6a]O[6]H)(CC[5]CH)	106.0290	0.226	2	106.0290	0.051	2	106.0290	0.051	2	106.4667	0.431	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:1:	4:2:1:1:	3:4:	C[5]-4:O-2:C-4:H-1:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	C(CC[5]HO)(ON[6])(H)2	O(N[6]C[6]2)(CC[5]CH)	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	C(CC[5]HO)(ON[6])(H)2	O(N[6]C[6]2)(CC[5]CH)	114.9910	0.000	1	114.9910	0.000	1	114.9910	0.000	1	114.9910	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:1:	4:3:1:1:	4:4:	C-4:O-2:C-4:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHO)(CCH)(H)2	O(C[5]C[5]2H)(CCCH)	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHO)(CCH)(H)2	O(C[5]C[5]2H)(CCCH)	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	109.0800	10.221	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O-2:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	C(CC[5]HO)(COO)(H)2	O(C[6]C[6]2H)(CC[5]CH)	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	C(CC[5]HO)(COO)(H)2	O(C[6]C[6]2H)(CC[5]CH)	107.2970	1.170	2	107.2970	1.368	2	107.2970	1.368	2	109.0800	10.221	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:1:	4:3:3:1:	4:4:	C[5]-4:O-2:C-4:H-1:	C-4:C-3:N-3:H-1:	C[6]-4:C-4:	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	C(CC[5]HO)(COO)(NOO)(H)	O(C[6]C[6]O[6]H)(CC[5]CH)	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	C(CC[5]HO)(COO)(NOO)(H)	O(C[6]C[6]O[6]H)(CC[5]CH)	110.2290	0.000	1	110.2290	0.000	1	110.2290	0.000	1	110.2290	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:1:	4:4:1:1:	4:4:	C-4:O-2:C-4:H-1:	C-4:C-4:Br-1:H-1:	C[5]-4:C-4:	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHH)(CCHO)(Br)(H)	O(C[5]C[5]2H)(CCCH)	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHH)(CCHO)(Br)(H)	O(C[5]C[5]2H)(CCCH)	108.3052	2.670	6	108.3052	7.128	6	108.3052	7.128	6	108.9330	6.252	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:1:	4:4:1:1:	4:4:	C-4:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHO)(CH3)(H)2	O(C[5]C[5]2H)(CCCH)	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHO)(CH3)(H)2	O(C[5]C[5]2H)(CCCH)	110.7840	1.907	5	110.7840	3.638	5	109.6800	6.204	7	108.9330	6.252	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:1:	4:4:1:1:	4:4:	C-4:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:	C(CCo2C)(OC[5])(CCHH)(H)	C(CCHO)(CH3)(H)2	O(C[5]C[5]2H)(CCCH)	C(CCo2C)(OC[5])(CCHH)(H)	C(CCHO)(CH3)(H)2	O(C[5]C[5]2H)(CCCH)	106.9200	1.158	2	106.9200	1.342	2	109.6800	6.204	7	108.9330	6.252	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	C(CC[5]HO)(CHHO)(H)2	O(C[6]C[6]2H)(CC[5]CH)	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	C(CC[5]HO)(CHHO)(H)2	O(C[6]C[6]2H)(CC[5]CH)	107.4710	0.000	1	107.4710	0.000	1	107.4710	0.000	1	108.9330	6.252	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O-2:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	C(CC[5]HO)(CCHO)(CH3)(H)	O(C[6]C[6]O[6]H)(CC[5]CH)	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	C(CC[5]HO)(CCHO)(CH3)(H)	O(C[6]C[6]O[6]H)(CC[5]CH)	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:2:	3:4:1:1:	4:4:	C-4:O-2:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	C(C[6a]C[6a]2)(CCOO)(H)2	O(CCCH)(CCCO)	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	C(C[6a]C[6a]2)(CCOO)(H)2	O(CCCH)(CCCO)	103.4910	0.000	1	103.4910	0.000	1	103.4910	0.000	1	103.4910	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:2:	4:4:1:1:	4:4:	C-4:O-2:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	C(CCHH)(CCOO)(H)2	O(CCCH)(CCCO)	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	C(CCHH)(CCOO)(H)2	O(CCCH)(CCCO)	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:4:	4:1:1:1:	4:4:	C-4:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(CBrCH)(OC[6])(CH3)2	C(CCCO)(H)3	O(C[6]C[6]2H)(CC3)	C(CBrCH)(OC[6])(CH3)2	C(CCCO)(H)3	O(C[6]C[6]2H)(CC3)	106.2770	4.564	2	106.2770	20.827	2	106.2770	20.827	2	107.3628	11.420	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:4:	4:1:1:1:	4:4:	C[4]-4:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(C[4]C[4,6]C[4]H)(OC[5])(CH3)2	C(CC[4]CO)(H)3	O(C[5]C[5,5a]C[5,6]H)(CC[4]CC)	C(C[4]C[4,6]C[4]H)(OC[5])(CH3)2	C(CC[4]CO)(H)3	O(C[5]C[5,5a]C[5,6]H)(CC[4]CC)	106.0420	6.948	2	106.0420	48.275	2	106.0420	48.275	2	107.3628	11.420	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	C(CC[5]CO)(H)3	O(C[6]C[6]O[6]H)(CC[5]CC)	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	C(CC[5]CO)(H)3	O(C[6]C[6]O[6]H)(CC[5]CC)	108.3254	1.716	5	108.3254	2.945	5	108.3254	2.945	5	107.3628	11.420	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:4:	4:1:1:1:	6:4:	C[5]-4:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4x6]-6:C-4:	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	C(CC[5]CO)(H)3	O(Si[4x6]N[5a,6,6]4O)(CC[5]CC)	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	C(CC[5]CO)(H)3	O(Si[4x6]N[5a,6,6]4O)(CC[5]CC)	111.5450	0.348	2	111.5450	0.121	2	111.5450	0.121	2	111.5450	0.121	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:4:	4:4:1:1:	4:4:	C-4:O-2:C-4:C-4:	C-4:C-4:Br-1:H-1:	C[6]-4:C-4:	C(CBrCH)(OC[6])(CH3)2	C(CCCO)(CCHH)(Br)(H)	O(C[6]C[6]2H)(CC3)	C(CBrCH)(OC[6])(CH3)2	C(CCCO)(CCHH)(Br)(H)	O(C[6]C[6]2H)(CC3)	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	108.4472	8.244	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O-2:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	C(CC[5]CO)(CCHH)(H)2	O(C[6]C[6]O[6]H)(CC[5]CC)	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	C(CC[5]CO)(CCHH)(H)2	O(C[6]C[6]O[6]H)(CC[5]CC)	108.4806	3.209	5	108.4806	10.296	5	108.4806	10.296	5	108.4472	8.244	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:2:4:4:	4:4:1:1:	6:4:	C[5]-4:O-2:C-4:C-4:	C-4:C-4:H-1:H-1:	Si[4x6]-6:C-4:	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	C(CC[3]HH)(CC[5]CO)(H)2	O(Si[4x6]N[5a,6,6]4O)(CC[5]CC)	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	C(CC[3]HH)(CC[5]CO)(H)2	O(Si[4x6]N[5a,6,6]4O)(CC[5]CC)	110.8710	0.865	2	110.8710	0.749	2	110.8710	0.749	2	110.8710	0.749	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:3:4:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]2H)(CNO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	O(CCCH)(H)	C(CC[6a]2H)(CNO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	O(CCCH)(H)	111.4260	0.000	1	111.4260	0.000	1	111.4260	0.000	1	110.7643	1.759	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:3:4:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:	C(CC[6a]HN)(CNO)(OH)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]HN)(CNO)(OH)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	O(CCCH)(H)	110.9080	0.000	1	110.9080	0.000	1	110.9055	0.014	4	110.7643	1.759	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:3:4:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:	C(CC[6a]HN)(CNO)(OH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]HN)(CNO)(OH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	O(CCCH)(H)	110.9775	0.107	2	110.9775	0.011	2	110.9055	0.014	4	110.7643	1.759	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:3:4:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:	C(CC[6a]HN)(COO)(OH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]HN)(COO)(OH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	O(CCCH)(H)	110.7590	0.000	1	110.7590	0.000	1	110.9055	0.014	4	110.7643	1.759	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:3:4:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:N[6a]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]N[6a]H)(COO)(OH)(H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]N[6a]H)(COO)(OH)(H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	O(CCCH)(H)	112.5580	0.000	1	112.5580	0.000	1	112.5580	0.000	1	110.7643	1.759	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:3:4:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:S-3:C-4:H-1:	C-4:H-1:	C(CC[6a]HS)(CNO)(OH)(H)	C(C[6a]C[6a]2)(SC[6a]O)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]HS)(CNO)(OH)(H)	C(C[6a]C[6a]2)(SC[6a]O)(CCHO)(H)	O(CCCH)(H)	109.6340	0.000	1	109.6340	0.000	1	109.6340	0.000	1	110.7643	1.759	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:3:4:1:	4:1:	C-4:C-3:O-2:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]N[5a]H)(CC[6a]O)(OH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]N[5a]H)(CC[6a]O)(OH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	O(CCCH)(H)	108.9540	0.000	1	108.9540	0.000	1	111.2670	10.700	2	110.7643	1.759	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:3:4:1:	4:1:	C-4:C-3:O-2:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]N[5a]H)(COO)(OH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]N[5a]H)(COO)(OH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	O(CCCH)(H)	113.5800	0.000	1	113.5800	0.000	1	111.2670	10.700	2	110.7643	1.759	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:3:4:1:	4:1:	C-4:C[6a]-3:O-2:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	O(CC[6a]CH)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	O(CC[6a]CH)(H)	109.7993	0.382	3	109.7993	0.146	3	109.7993	0.146	3	110.7643	1.759	12	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:3:4:1:	4:4:	C-4:C-3:O-2:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:	C(CC[6a]HN)(CNO)(OC)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	O(CCCH)(CCHH)	C(CC[6a]HN)(CNO)(OC)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	O(CCCH)(CCHH)	105.8860	0.000	1	105.8860	0.000	1	105.8860	0.000	1	107.7342	1.829	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:3:4:1:	4:4:	C-4:C-3:O-2:H-1:	C[6a]-3:N-3:C-4:H-1:	Si-4:C-4:	C(CC[6a]HN)(COO)(OSi)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	O(SiC[6a]3)(CCCH)	C(CC[6a]HN)(COO)(OSi)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	O(SiC[6a]3)(CCCH)	109.0220	0.397	2	109.0220	0.158	2	109.0220	0.158	2	107.7342	1.829	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:3:4:1:	4:4:	C-4:C[6a]-3:O-2:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:Si-4:	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(H)	O(CC[6a]CH)(SiC3)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(H)	O(CC[6a]CH)(SiC3)	107.3705	0.402	2	107.3705	0.162	2	107.3705	0.162	2	107.7342	1.829	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:3:4:4:	4:4:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:C-4:	C(CC[6a]2C)(CCH)(OC)(H)	C(C[6a]C[6a]2)2(CCHH)(CCHO)	O(CCCH)(CH3)	C(CC[6a]2C)(CCH)(OC)(H)	C(C[6a]C[6a]2)2(CCHH)(CCHO)	O(CCCH)(CH3)	106.0290	0.000	1	106.0290	0.000	1	106.0290	0.000	1	106.0290	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	3:4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	N-3:C-4:	C(CC[6a]HH)(CCO)(ON)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(NC[6a]H)(CCCH)	C(CC[6a]HH)(CCO)(ON)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(NC[6a]H)(CCCH)	107.7900	0.000	1	107.7900	0.000	1	107.7900	0.000	1	107.2760	0.997	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	3:4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:	C(CC[6a]HH)(CN[5]O)(ON[6])(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(N[6]C[6]2)(CCCH)	C(CC[6a]HH)(CN[5]O)(ON[6])(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(N[6]C[6]2)(CCCH)	106.1250	0.000	1	106.1250	0.000	1	106.1250	0.000	1	107.2760	0.997	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	3:4:	C-4:C-3:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	C(N[6]C[6]2)(CCHO)(H)2	O(N[6]C[6]2)(CCCH)	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	C(N[6]C[6]2)(CCHO)(H)2	O(N[6]C[6]2)(CCCH)	107.9130	0.000	1	107.9130	0.000	1	107.9130	0.000	1	107.2760	0.997	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(COO)(OH)(H)	C(CC[6a]C)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(COO)(OH)(H)	C(CC[6a]C)(CCHO)(H)2	O(CCCH)(H)	115.0140	0.000	1	115.0140	0.000	1	109.7810	20.753	3	110.0247	4.317	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(COO)(OH)(H)	C(CC[6a]O)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(COO)(OH)(H)	C(CC[6a]O)(CCHO)(H)2	O(CCCH)(H)	107.1645	0.655	2	107.1645	0.430	2	109.7810	20.753	3	110.0247	4.317	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(COO)(OH)(H)	C(C[5]C[5]N[5])(CCHO)(H)2	O(CCCH)(H)	C(CC[5]HH)(COO)(OH)(H)	C(C[5]C[5]N[5])(CCHO)(H)2	O(CCCH)(H)	107.5700	0.000	1	107.5700	0.000	1	107.5700	0.000	1	110.0247	4.317	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5a]HH)(CC[6a]O)(OH)(H)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	O(CCCH)(H)	C(CC[5a]HH)(CC[6a]O)(OH)(H)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	O(CCCH)(H)	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	110.0247	4.317	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCO)(OH)(H)	C(C[6]C[6]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CCO)(OH)(H)	C(C[6]C[6]2)(CCHO)(H)2	O(CCCH)(H)	112.4850	0.000	1	112.4850	0.000	1	112.4850	0.000	1	110.0247	4.317	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	109.1595	0.658	2	109.1595	0.433	2	110.0814	3.037	19	110.0247	4.317	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CCO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	111.9670	0.000	1	111.9670	0.000	1	110.0814	3.037	19	110.0247	4.317	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CNO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CNO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	109.6940	2.657	3	109.6940	7.059	3	110.0814	3.037	19	110.0247	4.317	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CN[5]O)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CN[5]O)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	112.0170	0.190	3	112.0170	0.036	3	110.0814	3.037	19	110.0247	4.317	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	109.5182	1.585	9	109.5182	2.513	9	110.0814	3.037	19	110.0247	4.317	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(COO)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(COO)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	O(CCCH)(H)	110.4630	0.000	1	110.4630	0.000	1	110.0814	3.037	19	110.0247	4.317	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHS)(CCH)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	C(CHHS)(CCH)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	110.8030	0.000	1	110.8030	0.000	1	110.8030	0.000	1	110.0247	4.317	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:1:	C-4:N-3:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(NCH)(OH)(H)	C(NC[5a]H)(CHNO)(H)2	O(CCHN)(H)	C(CHHN)(NCH)(OH)(H)	C(NC[5a]H)(CHNO)(H)2	O(CCHN)(H)	108.3390	0.000	1	108.3390	0.000	1	108.3390	0.000	1	110.0247	4.317	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CCC)(OC)(H)	C(CC[5]O)(CCHO)(H)2	O(CCCH)(CH3)	C(CCHH)(CCC)(OC)(H)	C(CC[5]O)(CCHO)(H)2	O(CCCH)(CH3)	103.6570	0.000	1	103.6570	0.000	1	103.6570	0.000	1	106.4107	5.848	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:4:	C-4:C-3:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	S-4:C-4:	C(CC[5a]HH)(COO)(OS)(H)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	O(SC[6a]OO)(CCCH)	C(CC[5a]HH)(COO)(OS)(H)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	O(SC[6a]OO)(CCCH)	108.1890	0.000	1	108.1890	0.000	1	108.1890	0.000	1	106.4107	5.848	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:1:1:	4:4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(CNO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CHHO)	C(CC[6a]HH)(CNO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CHHO)	107.3860	0.000	1	107.3860	0.000	1	107.3860	0.000	1	106.4107	5.848	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(COO)(OH)(H)	C(C[5]N[5]2)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[5]HO)(COO)(OH)(H)	C(C[5]N[5]2)(CCHO)(OH)(H)	O(CCCH)(H)	108.3120	1.410	2	108.3120	1.988	2	108.3120	1.988	2	109.7404	3.293	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(CCO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[6a]HO)(CCO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(H)	109.8380	0.034	2	109.8380	0.001	2	110.6927	2.192	3	109.7404	3.293	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[6a]HO)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(H)	112.4020	0.000	1	112.4020	0.000	1	110.6927	2.192	3	109.7404	3.293	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:2:1:	4:4:	C-4:C-3:O-2:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:	C(CC[5a]HO)(CC[6a]O)(OC)(H)	C(C[5a]C[5a]O[5a])(CCHO)(OH)(H)	O(CC[6a]2H)(CCCH)	C(CC[5a]HO)(CC[6a]O)(OC)(H)	C(C[5a]C[5a]O[5a])(CCHO)(OH)(H)	O(CC[6a]2H)(CCCH)	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	107.9549	1.770	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:2:1:	4:4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C(CC[6a]HO)(CCO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(CCHH)	C(CC[6a]HO)(CCO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(CCHH)	108.8620	0.682	2	108.8620	0.465	2	108.0332	1.960	8	107.9549	1.770	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:2:1:	4:4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C(CC[6a]HO)(CC[6]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(CCHH)	C(CC[6a]HO)(CC[6]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(CCHH)	109.7840	0.000	1	109.7840	0.000	1	108.0332	1.960	8	107.9549	1.770	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:2:1:	4:4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C(CC[6a]HO)(CC[6a]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]2H)(CCCH)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CC[6a]2H)(CCCH)	108.6270	0.000	1	108.6270	0.000	1	108.0332	1.960	8	107.9549	1.770	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:2:1:	4:4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C(CC[6a]HO)(CC[6a]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CC[6a]2H)(CCCH)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CC[6a]2H)(CCCH)	107.5505	1.599	2	107.5505	2.556	2	108.0332	1.960	8	107.9549	1.770	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:2:1:	4:4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C(CC[6a]HO)(CN[5]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CC[6a]HH)(CCCH)	C(CC[6a]HO)(CN[5]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CC[6a]HH)(CCCH)	107.1590	0.000	1	107.1590	0.000	1	108.0332	1.960	8	107.9549	1.770	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:2:1:	4:4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C(CC[6a]HO)(COS)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(CH3)	C(CC[6a]HO)(COS)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(CH3)	105.8710	0.000	1	105.8710	0.000	1	108.0332	1.960	8	107.9549	1.770	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(CC[6a]CH)(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	O(CCCH)(H)	C(CC[6a]CH)(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	O(CCCH)(H)	110.5370	0.000	1	110.5370	0.000	1	111.1770	0.313	3	109.6664	3.610	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(CC[6a]CH)(CNO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	O(CCCH)(H)	C(CC[6a]CH)(CNO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	O(CCCH)(H)	111.4970	0.105	2	111.4970	0.011	2	111.1770	0.313	3	109.6664	3.610	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(CC[6a]HN)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	O(CCCH)(H)	C(CC[6a]HN)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	O(CCCH)(H)	109.7871	1.953	8	109.7871	3.813	8	109.6823	3.435	9	109.6664	3.610	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(CC[6a]HN)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	O(CCCH)(H)	C(CC[6a]HN)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	O(CCCH)(H)	108.8440	0.000	1	108.8440	0.000	1	109.6823	3.435	9	109.6664	3.610	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:	C(CN[5]CH)(CCH)(OH)(H)	C(N[5]C[5]2)(CCHO)(CCH)(H)	O(CCCH)(H)	C(CN[5]CH)(CCH)(OH)(H)	C(N[5]C[5]2)(CCHO)(CCH)(H)	O(CCCH)(H)	107.3285	1.019	2	107.3285	1.038	2	107.3285	1.038	2	109.6664	3.610	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:3:1:	4:4:	C-4:N-3:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:	C(CC[6a]HN)(NC[6a]S)(OC)(H)	C(C[6a]C[6a]2)(CHNO)(NHS)(H)	O(CCHH)(CCHN)	C(CC[6a]HN)(NC[6a]S)(OC)(H)	C(C[6a]C[6a]2)(CHNO)(NHS)(H)	O(CCHH)(CCHN)	107.6260	0.000	1	107.6260	0.000	1	107.6260	0.000	1	107.6260	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:4:1:	4:1:	C-4:C-3:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCC)(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCC)(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	O(CCCH)(H)	106.8870	0.000	1	106.8870	0.000	1	108.1955	3.424	2	108.8396	4.123	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:4:1:	4:1:	C-4:C-3:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCH)(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCH)(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	O(CCCH)(H)	109.5040	0.000	1	109.5040	0.000	1	108.1955	3.424	2	108.8396	4.123	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:4:1:	4:1:	C-4:C-3:O-2:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6]CH)(CNO)(OH)(H)	C(C[6]C[6]2)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[6]CH)(CNO)(OH)(H)	C(C[6]C[6]2)(CCHO)(CH3)(H)	O(CCCH)(H)	112.3870	0.000	1	112.3870	0.000	1	112.3870	0.000	1	108.8396	4.123	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:4:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(CCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	O(CCCH)(H)	C(CC[6a]CH)(CCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	O(CCCH)(H)	109.5710	0.000	1	109.5710	0.000	1	109.5590	0.000	2	108.8396	4.123	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:4:1:	4:1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(CNS)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[6a]CH)(CNS)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	O(CCCH)(H)	109.5470	0.000	1	109.5470	0.000	1	109.5590	0.000	2	108.8396	4.123	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:4:1:	4:1:	C-4:C-3:O-2:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:	C(CN[5]CH)(CCH)(OH)(H)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	O(CCCH)(H)	C(CN[5]CH)(CCH)(OH)(H)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	O(CCCH)(H)	106.9905	0.158	2	106.9905	0.025	2	106.9905	0.025	2	108.8396	4.123	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:4:1:	4:4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:Si-4:	C(CC[6a]CH)(CCH)(OSi)(H)	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	O(CCCH)(SiC3)	C(CC[6a]CH)(CCH)(OSi)(H)	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	O(CCCH)(SiC3)	110.6660	0.000	1	110.6660	0.000	1	110.6660	0.000	1	109.1330	4.700	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:4:1:	4:4:	C-4:C-3:O-2:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:Si-4:	C(CN[5]CH)(COO)(OSi)(H)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	O(CCCH)(SiC3)	C(CN[5]CH)(COO)(OSi)(H)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	O(CCCH)(SiC3)	107.6000	0.000	1	107.6000	0.000	1	107.6000	0.000	1	109.1330	4.700	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	3:4:4:2:	4:4:	C-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[5]-4:C-4:O-2:	C-4:C-4:	C(CC[6a]C[5]O)(C[6a]C[6a]2)(OC)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]HO)(OH)	O(CC[6a]CH)(CH3)	C(CC[6a]C[5]O)(C[6a]C[6a]2)(OC)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]HO)(OH)	O(CC[6a]CH)(CH3)	104.3250	0.085	2	104.3250	0.007	2	104.3250	0.007	2	104.3250	0.007	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:H-1:	C(CCl3)(COO)(OH)(H)	C(CCHO)(Cl)3	O(CCCH)(H)	C(CCl3)(COO)(OH)(H)	C(CCHO)(Cl)3	O(CCCH)(H)	109.7050	0.510	3	109.7050	0.260	3	109.7050	0.260	3	110.8180	13.866	57	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:H-1:	C(CClHH)(CCH)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	C(CClHH)(CCH)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	111.5510	0.000	1	111.5510	0.000	1	111.5510	0.000	1	110.8180	13.866	57	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CF3)(COO)(OH)(H)	C(CCHO)(F)3	O(CCCH)(H)	C(CF3)(COO)(OH)(H)	C(CCHO)(F)3	O(CCCH)(H)	108.8373	0.412	10	108.8373	0.170	10	108.8373	0.170	10	110.8180	13.866	57	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:F-1:F-1:H-1:	C-4:H-1:	C(CFFH)(COO)(OH)(H)	C(CCHO)(F)2(H)	O(CCCH)(H)	C(CFFH)(COO)(OH)(H)	C(CCHO)(F)2(H)	O(CCCH)(H)	110.6760	0.000	1	110.6760	0.000	1	110.6760	0.000	1	110.8180	13.866	57	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)(CCH)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CH3)(CCH)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	108.3810	2.457	5	108.3810	6.036	5	111.4608	18.074	40	110.8180	13.866	57	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)(CCI)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CH3)(CCI)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	111.4740	0.000	1	111.4740	0.000	1	111.4608	18.074	40	110.8180	13.866	57	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)(CCO)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CH3)(CCO)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	109.7272	3.088	4	109.7272	9.537	4	111.4608	18.074	40	110.8180	13.866	57	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)(CHH)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CH3)(CHH)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	110.8880	2.080	2	110.8880	4.328	2	111.4608	18.074	40	110.8180	13.866	57	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)(CNO)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CH3)(CNO)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	111.8597	1.764	9	111.8597	3.110	9	111.4608	18.074	40	110.8180	13.866	57	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)(COO)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CH3)(COO)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	112.5069	5.480	19	112.5069	30.034	19	111.4608	18.074	40	110.8180	13.866	57	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:1:	C-4:N-3:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:H-1:	C(CCl3)(NCH)(OH)(H)	C(CHNO)(Cl)3	O(CCHN)(H)	C(CCl3)(NCH)(OH)(H)	C(CHNO)(Cl)3	O(CCHN)(H)	110.7450	0.000	1	110.7450	0.000	1	110.7450	0.000	1	110.8180	13.866	57	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:1:	C-4:N-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)(NCH)(OH)(H)	C(CHNO)(H)3	O(CCHN)(H)	C(CH3)(NCH)(OH)(H)	C(CHNO)(H)3	O(CCHN)(H)	107.7330	0.000	1	107.7330	0.000	1	107.7330	0.000	1	110.8180	13.866	57	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(CCH)(OC)(H)	C(CCHO)(H)3	O(CCCH)2	C(CH3)(CCH)(OC)(H)	C(CCHO)(H)3	O(CCCH)2	109.9297	4.515	3	109.9297	20.385	3	108.4977	11.160	6	107.7299	8.498	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(CCH)(OC)(H)	C(CCHO)(H)3	O(CC[5]CH)(CCCH)	C(CH3)(CCH)(OC)(H)	C(CCHO)(H)3	O(CC[5]CH)(CCCH)	106.0330	0.000	1	106.0330	0.000	1	108.4977	11.160	6	107.7299	8.498	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(CCO)(OC)(H)	C(CCHO)(H)3	O(CC[6a]HH)(CCCH)	C(CH3)(CCO)(OC)(H)	C(CCHO)(H)3	O(CC[6a]HH)(CCCH)	106.8320	0.000	1	106.8320	0.000	1	108.4977	11.160	6	107.7299	8.498	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(COO)(OC)(H)	C(CCHO)(H)3	O(CC[6]HH)(CCCH)	C(CH3)(COO)(OC)(H)	C(CCHO)(H)3	O(CC[6]HH)(CCCH)	108.3320	0.000	1	108.3320	0.000	1	108.4977	11.160	6	107.7299	8.498	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:	C(CH3)(CNO)(OS)(H)	C(CCHO)(H)3	O(CCCH)(SCOO)	C(CH3)(CNO)(OS)(H)	C(CCHO)(H)3	O(CCCH)(SCOO)	105.5850	1.277	2	105.5850	1.631	2	105.5850	1.631	2	107.7299	8.498	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:Si-4:	C(CH3)(CNO)(OSi)(H)	C(CCHO)(H)3	O(CCCH)(SiC3)	C(CH3)(CNO)(OSi)(H)	C(CCHO)(H)3	O(CCCH)(SiC3)	109.3410	0.000	1	109.3410	0.000	1	109.3410	0.000	1	107.7299	8.498	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:	C(CH3)(COO)(OS)(H)	C(CCHO)(H)3	O(SC[6a]OO)(CCCH)	C(CH3)(COO)(OS)(H)	C(CCHO)(H)3	O(SC[6a]OO)(CCCH)	105.8020	0.000	1	105.8020	0.000	1	105.8020	0.000	1	107.7299	8.498	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:1:1:1:	5:4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)(CHH)(OP)(H)	C(CCHO)(H)3	O(PDyCOO)(CCCH)	C(CH3)(CHH)(OP)(H)	C(CCHO)(H)3	O(PDyCOO)(CCCH)	125.7640	0.000	1	125.7640	0.000	1	125.7640	0.000	1	125.7640	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:2:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CHHO)(CCC)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	C(CHHO)(CCC)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	111.2330	0.000	1	111.2330	0.000	1	111.6260	0.285	4	111.3884	2.555	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:2:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CHHO)(COO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	C(CHHO)(COO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	111.8810	0.000	1	111.8810	0.000	1	111.6260	0.285	4	111.3884	2.555	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:2:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CHHO)(COO)(OH)(H)	C(CCHO)(OP)(H)2	O(CCCH)(H)	C(CHHO)(COO)(OH)(H)	C(CCHO)(OP)(H)2	O(CCCH)(H)	111.6950	0.791	2	111.6950	0.625	2	111.6260	0.285	4	111.3884	2.555	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:2:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:	C(CHHS)(COO)(OH)(H)	C(CCHO)(SC)(H)2	O(CCCH)(H)	C(CHHS)(COO)(OH)(H)	C(CCHO)(SC)(H)2	O(CCCH)(H)	110.9730	2.224	5	110.9730	4.946	5	111.2300	4.353	6	111.3884	2.555	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:2:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:	C(CHHS)(COO)(OH)(H)	C(CCHO)(SS)(H)2	O(CCCH)(H)	C(CHHS)(COO)(OH)(H)	C(CCHO)(SS)(H)2	O(CCCH)(H)	112.5150	0.000	1	112.5150	0.000	1	111.2300	4.353	6	111.3884	2.555	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:F-1:F-1:	C-4:H-1:	C(CCFF)(CCH)(OH)(H)	C(CCHO)(CCO)(F)2	O(CCCH)(H)	C(CCFF)(CCH)(OH)(H)	C(CCHO)(CCO)(F)2	O(CCCH)(H)	110.4107	0.750	3	110.4107	0.562	3	110.4107	0.562	3	109.8890	3.025	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CCC)(OH)(H)	C(CCHO)(CCC)(H)2	O(CCCH)(H)	C(CCHH)(CCC)(OH)(H)	C(CCHO)(CCC)(H)2	O(CCCH)(H)	107.0010	0.000	1	107.0010	0.000	1	109.9156	3.281	49	109.8890	3.025	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CCC)(OH)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(H)	C(CCHH)(CCC)(OH)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(H)	110.3517	1.033	3	110.3517	1.067	3	109.9156	3.281	49	109.8890	3.025	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CCH)(OH)(H)	C(CCHO)(CCC)(H)2	O(CCCH)(H)	C(CCHH)(CCH)(OH)(H)	C(CCHO)(CCC)(H)2	O(CCCH)(H)	111.8720	0.000	1	111.8720	0.000	1	109.9156	3.281	49	109.8890	3.025	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CCH)(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	C(CCHH)(CCH)(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	108.7908	1.237	5	108.7908	1.531	5	109.9156	3.281	49	109.8890	3.025	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CCH)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	C(CCHH)(CCH)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	109.5220	3.361	5	109.5220	11.295	5	109.9156	3.281	49	109.8890	3.025	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CNO)(OH)(H)	C(CCHO)(CNO)(H)2	O(CCCH)(H)	C(CCHH)(CNO)(OH)(H)	C(CCHO)(CNO)(H)2	O(CCCH)(H)	109.4075	1.098	4	109.4075	1.206	4	109.9156	3.281	49	109.8890	3.025	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(COO)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	C(CCHH)(COO)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	110.2247	1.625	30	110.2247	2.639	30	109.9156	3.281	49	109.8890	3.025	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:O-1:	C-4:H-1:	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(H)(O)	O(CCCH)(H)	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(H)(O)	O(CCCH)(H)	108.9337	0.766	3	108.9337	0.587	3	108.9337	0.587	3	109.8890	3.025	55	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CCC)(H)2	O(CCCH)(CCHH)	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CCC)(H)2	O(CCCH)(CCHH)	111.8490	0.000	1	111.8490	0.000	1	112.0965	0.123	2	108.7637	9.996	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CCHH)(CNO)(OC)(H)	C(CCHO)(CCH)(H)2	O(CCCH)2	C(CCHH)(CNO)(OC)(H)	C(CCHO)(CCH)(H)2	O(CCCH)2	112.3440	0.000	1	112.3440	0.000	1	112.0965	0.123	2	108.7637	9.996	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	Si-4:C-4:	C(CCHH)(CCH)(OSi)(H)	C(CCHO)(CCH)(H)2	O(SiC[6a]2C)(CCCH)	C(CCHH)(CCH)(OSi)(H)	C(CCHO)(CCH)(H)2	O(SiC[6a]2C)(CCCH)	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	108.7637	9.996	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:4:	C-4:N-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CCHH)(NCH)(OC)(H)	C(CHNO)(CCC)(H)2	O(CCHN)(CH3)	C(CCHH)(NCH)(OC)(H)	C(CHNO)(CCC)(H)2	O(CCHN)(CH3)	107.0880	0.692	2	107.0880	0.478	2	107.0880	0.478	2	108.7637	9.996	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:1:1:	4:4:	C-4:N-3:O-2:H-1:	C-4:C-3:H-1:I-1:	C-4:C-4:	C(CCHI)(NCS)(OC)(H)	C(CHNO)(COO)(H)(I)	O(CCHH)(CCHN)	C(CCHI)(NCS)(OC)(H)	C(CHNO)(COO)(H)(I)	O(CCHH)(CCHN)	104.2730	0.000	1	104.2730	0.000	1	104.2730	0.000	1	108.7637	9.996	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(CCC)(OH)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCC)(OH)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	107.8260	0.305	2	107.8260	0.093	2	110.1798	2.176	495	110.1742	2.187	496	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CCC)(OC)(H)	O(CCCH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CCC)(OC)(H)	O(CCCH)(H)	108.2900	0.000	1	108.2900	0.000	1	110.1798	2.176	495	110.1742	2.187	496	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CCC)(OH)(H)	O(CCCH)(H)	109.0520	2.420	2	109.0520	5.855	2	110.1798	2.176	495	110.1742	2.187	496	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(CCO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	109.3520	0.000	1	109.3520	0.000	1	110.1798	2.176	495	110.1742	2.187	496	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(CNO)(OH)(H)	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CNO)(OH)(H)	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	110.0224	1.353	16	110.0224	1.832	16	110.1798	2.176	495	110.1742	2.187	496	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(CNO)(OH)(H)	C(CCHO)(COO)(OC)(H)	O(CCCH)(H)	C(CCHO)(CNO)(OH)(H)	C(CCHO)(COO)(OC)(H)	O(CCCH)(H)	110.2220	0.000	1	110.2220	0.000	1	110.1798	2.176	495	110.1742	2.187	496	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(CNO)(OH)(H)	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CNO)(OH)(H)	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	108.8110	0.888	2	108.8110	0.789	2	110.1798	2.176	495	110.1742	2.187	496	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(COO)(OH)(H)	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(COO)(OH)(H)	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	111.7265	0.284	2	111.7265	0.080	2	110.1798	2.176	495	110.1742	2.187	496	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(OC)(H)	O(CCCH)(H)	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(OC)(H)	O(CCCH)(H)	111.6350	0.000	1	111.6350	0.000	1	110.1798	2.176	495	110.1742	2.187	496	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	110.2059	1.472	466	110.2059	2.168	466	110.1798	2.176	495	110.1742	2.187	496	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(OPt)(H)	O(CCCH)(H)	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(OPt)(H)	O(CCCH)(H)	108.3390	0.000	1	108.3390	0.000	1	110.1798	2.176	495	110.1742	2.187	496	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:1:	C-4:N-3:O-2:H-1:	C-4:N-3:O-2:H-1:	C-4:H-1:	C(CHNO)(NCH)(OH)(H)	C(CHNO)(NCH)(OH)(H)	O(CCHN)(H)	C(CHNO)(NCH)(OH)(H)	C(CHNO)(NCH)(OH)(H)	O(CCHN)(H)	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	110.1742	2.187	496	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CH3)	107.8777	0.885	4	107.8777	0.782	4	108.4106	0.735	10	108.4765	0.709	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C(CCHO)(CNO)(OC)(H)	C(CCHO)(CCC)(OSi)(H)	O(CCCH)(CH3)	C(CCHO)(CNO)(OC)(H)	C(CCHO)(CCC)(OSi)(H)	O(CCCH)(CH3)	109.7620	0.000	1	109.7620	0.000	1	108.4106	0.735	10	108.4765	0.709	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C(CCHO)(CNO)(OC)(H)	C(CCHO)(CNO)(OC)(H)	O(CCCH)(CCHH)	C(CCHO)(CNO)(OC)(H)	C(CCHO)(CNO)(OC)(H)	O(CCCH)(CCHH)	108.3388	0.220	4	108.3388	0.048	4	108.4106	0.735	10	108.4765	0.709	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C(CCHO)(COO)(OC)(H)	C(CCHO)(COO)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(COO)(OC)(H)	C(CCHO)(COO)(OC)(H)	O(CCCH)(CH3)	109.4780	0.000	1	109.4780	0.000	1	108.4106	0.735	10	108.4765	0.709	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:2:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C(CCHO)(CCC)(OSi)(H)	C(CCHO)(CNO)(OC)(H)	O(CCCH)(SiC3)	C(CCHO)(CCC)(OSi)(H)	C(CCHO)(CNO)(OC)(H)	O(CCCH)(SiC3)	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	108.4765	0.709	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(CCHN)(COO)(OH)(H)	C(CCHO)(CCH)(NCC)(H)	O(CCCH)(H)	C(CCHN)(COO)(OH)(H)	C(CCHO)(CCH)(NCC)(H)	O(CCCH)(H)	110.4660	0.000	1	110.4660	0.000	1	110.4660	0.000	1	110.3457	0.020	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:O-3:C-3:H-1:	C-4:H-1:	C(CCHO)(COO)(OH)(H)	C(CCHO)(OCoH)(COO)(H)	O(CCCH)(H)	C(CCHO)(COO)(OH)(H)	C(CCHO)(OCoH)(COO)(H)	O(CCCH)(H)	110.2855	0.135	2	110.2855	0.018	2	110.2855	0.018	2	110.3457	0.020	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:3:3:2:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-3:C-3:O-2:	C-4:C-4:	C(CCCO)(CCO)(OC)(H)	C(CCHO)(CCH)(COO)(OH)	O(CC[6a]HH)(CCCH)	C(CCCO)(CCO)(OC)(H)	C(CCHO)(CCH)(COO)(OH)	O(CC[6a]HH)(CCCH)	106.9960	0.000	1	106.9960	0.000	1	106.9960	0.000	1	106.9960	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:H-1:	C(CCFF)(CCH)(OH)(H)	C(CCHO)2(F)2	O(CCCH)(H)	C(CCFF)(CCH)(OH)(H)	C(CCHO)2(F)2	O(CCCH)(H)	109.1525	1.197	2	109.1525	1.433	2	109.1525	1.433	2	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCC)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCC)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	108.7840	1.409	3	108.7840	1.986	3	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCC)(OH)(H)	C(CCHO)(CC3)(H)2	O(CCCH)(H)	C(CCHH)(CCC)(OH)(H)	C(CCHO)(CC3)(H)2	O(CCCH)(H)	105.0645	0.197	2	105.0645	0.039	2	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCC)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	C(CCHH)(CCC)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	106.7610	0.000	1	106.7610	0.000	1	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCC)(OH)(H)	C(CC[4]HH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCC)(OH)(H)	C(CC[4]HH)(CCHO)(H)2	O(CCCH)(H)	110.5390	0.000	1	110.5390	0.000	1	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCC)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCC)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	O(CCCH)(H)	106.9050	0.000	1	106.9050	0.000	1	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCC)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCC)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	O(CCCH)(H)	108.3010	0.000	1	108.3010	0.000	1	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCC)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCC)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(H)	108.0925	2.085	2	108.0925	4.348	2	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	109.4155	2.206	18	109.4155	4.868	18	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCH)(OH)(H)	C(CCHO)(CC3)(H)2	O(CCCH)(H)	C(CCHH)(CCH)(OH)(H)	C(CCHO)(CC3)(H)2	O(CCCH)(H)	105.9960	0.000	1	105.9960	0.000	1	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCH)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	C(CCHH)(CCH)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	106.3220	0.378	2	106.3220	0.143	2	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCH)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCH)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	O(CCCH)(H)	109.0825	1.124	4	109.0825	1.263	4	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCH)(OH)(H)	C(CC[5a]C[6a]H)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCH)(OH)(H)	C(CC[5a]C[6a]H)(CCHO)(H)2	O(CCCH)(H)	109.0780	0.000	1	109.0780	0.000	1	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCH)(OH)(H)	C(CC[6]CH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCH)(OH)(H)	C(CC[6]CH)(CCHO)(H)2	O(CCCH)(H)	107.2080	1.703	2	107.2080	2.899	2	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCO)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCO)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	109.1134	2.247	7	109.1134	5.050	7	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCO)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	C(CCHH)(CCO)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	107.5850	0.000	1	107.5850	0.000	1	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CHO)(OH)(H)	C(CC[6a]CO)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CHO)(OH)(H)	C(CC[6a]CO)(CCHO)(H)2	O(CCCH)(H)	109.0670	0.000	1	109.0670	0.000	1	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(COO)(OH)(H)	C(CCHO)(CHHN)(H)2	O(CCCH)(H)	C(CCHH)(COO)(OH)(H)	C(CCHO)(CHHN)(H)2	O(CCCH)(H)	108.2510	0.000	1	108.2510	0.000	1	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(COO)(OH)(H)	C(CCHO)(CHHS)(H)2	O(CCCH)(H)	C(CCHH)(COO)(OH)(H)	C(CCHO)(CHHS)(H)2	O(CCCH)(H)	110.4715	4.125	2	110.4715	17.012	2	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(COO)(OH)(H)	C(CN[5]HH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(COO)(OH)(H)	C(CN[5]HH)(CCHO)(H)2	O(CCCH)(H)	110.6050	0.410	2	110.6050	0.168	2	108.7541	4.468	53	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)(COO)(OH)(H)	C(CCHO)(NH3)(H)2	O(CCCH)(H)	C(CHHN)(COO)(OH)(H)	C(CCHO)(NH3)(H)2	O(CCCH)(H)	110.4870	0.000	1	110.4870	0.000	1	110.4870	0.000	1	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:P-4:F-1:F-1:	C-4:H-1:	C(CFFP)(CCH)(OH)(H)	C(CCHO)(PO3)(F)2	O(CCCH)(H)	C(CFFP)(CCH)(OH)(H)	C(CCHO)(PO3)(F)2	O(CCCH)(H)	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[3,6]HH)(CC[6a]O)(OH)(H)	C(C[3,6]C[3,6]C[6]O[3])(CCHO)(H)2	O(CCCH)(H)	C(CC[3,6]HH)(CC[6a]O)(OH)(H)	C(C[3,6]C[3,6]C[6]O[3])(CCHO)(H)2	O(CCCH)(H)	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[3]HH)(CCC)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	O(CCCH)(H)	C(CC[3]HH)(CCC)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	O(CCCH)(H)	107.0890	0.778	2	107.0890	0.605	2	107.9150	2.349	3	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[3]HH)(CCH)(OH)(H)	C(C[3]C[3]O[3]C)(CCHO)(H)2	O(CCCH)(H)	C(CC[3]HH)(CCH)(OH)(H)	C(C[3]C[3]O[3]C)(CCHO)(H)2	O(CCCH)(H)	109.5670	0.000	1	109.5670	0.000	1	107.9150	2.349	3	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CCC)(OH)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	O(CCCH)(H)	C(CC[5]HH)(CCC)(OH)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	O(CCCH)(H)	111.3630	0.000	1	111.3630	0.000	1	110.3473	3.108	13	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CCC)(OH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	O(CCCH)(H)	C(CC[5]HH)(CCC)(OH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	O(CCCH)(H)	110.5435	1.605	11	110.5435	2.577	11	110.3473	3.108	13	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CC[5]C)(OH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	O(CCCH)(H)	C(CC[5]HH)(CC[5]C)(OH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	O(CCCH)(H)	107.1740	0.000	1	107.1740	0.000	1	110.3473	3.108	13	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCC)(OH)(H)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CCC)(OH)(H)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	O(CCCH)(H)	106.8730	0.000	1	106.8730	0.000	1	106.7712	6.043	9	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCC)(OH)(H)	C(C[6]C[6]2C)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CCC)(OH)(H)	C(C[6]C[6]2C)(CCHO)(H)2	O(CCCH)(H)	107.0695	2.770	2	107.0695	7.671	2	106.7712	6.043	9	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCC)(OH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CCC)(OH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	O(CCCH)(H)	105.8420	2.077	4	105.8420	4.316	4	106.7712	6.043	9	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	O(CCCH)(H)	108.2805	4.419	2	108.2805	19.525	2	106.7712	6.043	9	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:C-3:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(CHO)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	O(CCCH)(H)	C(CN[6]HH)(CHO)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	O(CCCH)(H)	110.7590	0.000	1	110.7590	0.000	1	110.7590	0.000	1	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:1:	C-4:N-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(NCO)(OH)(H)	C(CC[6a]HH)(CHNO)(H)2	O(CCHN)(H)	C(CCHH)(NCO)(OH)(H)	C(CC[6a]HH)(CHNO)(H)2	O(CCHN)(H)	109.6970	0.000	1	109.6970	0.000	1	109.6970	0.000	1	108.8417	4.818	85	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:2:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:	C(CC[5]HH)(CCC)(OO)(H)	C(C[5]C[5]2H)(CCHO)(H)2	O(CCCH)(OC)	C(CC[5]HH)(CCC)(OO)(H)	C(C[5]C[5]2H)(CCHO)(H)2	O(CCCH)(OC)	109.6230	0.000	1	109.6230	0.000	1	109.6095	0.000	2	109.6095	0.000	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:2:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:	C(CC[5]HH)(CCC)(OO)(H)	C(C[5]C[5]2H)(CCHO)(H)2	O(CCCH)(OH)	C(CC[5]HH)(CCC)(OO)(H)	C(C[5]C[5]2H)(CCHO)(H)2	O(CCCH)(OH)	109.5960	0.000	1	109.5960	0.000	1	109.6095	0.000	2	109.6095	0.000	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CCH)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(CH3)	C(CCHH)(CCH)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(CH3)	106.6990	0.129	2	106.6990	0.017	2	107.7405	3.578	4	109.2820	8.930	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CCN)(OC)(H)	C(CC[3]HH)(CCHO)(H)2	O(CC[6a]HH)(CCCH)	C(CCHH)(CCN)(OC)(H)	C(CC[3]HH)(CCHO)(H)2	O(CC[6a]HH)(CCCH)	106.9960	0.000	1	106.9960	0.000	1	107.7405	3.578	4	109.2820	8.930	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CNO)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCHH)	C(CCHH)(CNO)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCHH)	110.5680	0.000	1	110.5680	0.000	1	107.7405	3.578	4	109.2820	8.930	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(CCHH)(COO)(OSi)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(SiC3)	C(CCHH)(COO)(OSi)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(SiC3)	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	109.2820	8.930	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:	C(CCHH)(COO)(OS)(H)	C(CBrCC)(CCHO)(H)2	O(SC[6a]OO)(CCCH)	C(CCHH)(COO)(OS)(H)	C(CBrCC)(CCHO)(H)2	O(SC[6a]OO)(CCCH)	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	109.2820	8.930	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	Si-4:C-4:	C(CCHH)(CCO)(OSi)(H)	C(CCHH)(CCHO)(H)2	O(SiCCO)(CCCH)	C(CCHH)(CCO)(OSi)(H)	C(CCHH)(CCHO)(H)2	O(SiCCO)(CCCH)	108.9220	0.000	1	108.9220	0.000	1	111.9497	6.875	3	109.2820	8.930	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	Si-4:C-4:	C(CCHH)(COO)(OSi)(H)	C(CCHO)2(H)2	O(SiCCO)(CCCH)	C(CCHH)(COO)(OSi)(H)	C(CCHO)2(H)2	O(SiCCO)(CCCH)	113.4635	0.011	2	113.4635	0.000	2	111.9497	6.875	3	109.2820	8.930	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:4:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(CCC)(OC)(H)	C(C[5]C[5]2H)(CCHO)(H)2	O(CCCH)(CC3)	C(CC[5]HH)(CCC)(OC)(H)	C(C[5]C[5]2H)(CCHO)(H)2	O(CCCH)(CC3)	112.8770	0.000	1	112.8770	0.000	1	109.3405	25.014	2	109.2820	8.930	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:4:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(CCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)2	C(CC[5]HH)(CCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)2	105.8040	0.000	1	105.8040	0.000	1	109.3405	25.014	2	109.2820	8.930	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:4:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6]HH)(CCO)(OC)(H)	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	O(CCCH)(CH3)	C(CC[6]HH)(CCO)(OC)(H)	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	O(CCCH)(CH3)	108.0820	0.000	1	108.0820	0.000	1	107.8850	2.950	4	109.2820	8.930	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:4:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6]HH)(CCO)(OC)(H)	C(C[6]C[6]2H)(CCHO)(H)2	O(CCCH)(CH3)	C(CC[6]HH)(CCO)(OC)(H)	C(C[6]C[6]2H)(CCHO)(H)2	O(CCCH)(CH3)	107.8193	2.097	3	107.8193	4.399	3	107.8850	2.950	4	109.2820	8.930	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:1:1:	4:4:	C-4:O-3:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(ONiC)(OC)(H)	C(NNiCC)(CHOO)(H)2	O(CCHO)(CH3)	C(CHHN)(ONiC)(OC)(H)	C(NNiCC)(CHOO)(H)2	O(CCHO)(CH3)	114.8710	0.000	1	114.8710	0.000	1	114.8710	0.000	1	109.2820	8.930	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CCC)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(CCC)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	108.0460	0.000	1	108.0460	0.000	1	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CCH)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(H)	109.2500	0.000	1	109.2500	0.000	1	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CCH)(OH)(H)	C(CCHN)(CCHO)(OC)(H)	O(CCCH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHN)(CCHO)(OC)(H)	O(CCCH)(H)	111.7420	0.000	1	111.7420	0.000	1	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CCH)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	108.3430	0.000	1	108.3430	0.000	1	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CH3)(OC)(H)	O(CCCH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CH3)(OC)(H)	O(CCCH)(H)	107.7810	1.821	5	107.7810	3.318	5	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CH3)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CH3)(OH)(H)	O(CCCH)(H)	112.0300	0.000	1	112.0300	0.000	1	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CCH)(OH)(H)	C(CCHO)2(OC)(H)	O(CCCH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)2(OC)(H)	O(CCCH)(H)	109.9350	0.000	1	109.9350	0.000	1	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CCH)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	107.3974	2.348	5	107.3974	5.513	5	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CCO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(H)	106.5520	1.522	2	106.5520	2.316	2	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CCO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(H)	107.2645	0.074	2	107.2645	0.006	2	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CCO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(CCO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	111.5760	0.283	2	111.5760	0.080	2	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CCO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	O(CCCH)(H)	111.0600	0.000	1	111.0600	0.000	1	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CHN)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(CHN)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	110.4000	0.000	1	110.4000	0.000	1	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CNO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(CNO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	111.3981	1.354	8	111.3981	1.834	8	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(COO)(OH)(H)	C(CCCH)(CCHO)(OC)(H)	O(CCCH)(H)	C(CCHO)(COO)(OH)(H)	C(CCCH)(CCHO)(OC)(H)	O(CCCH)(H)	113.6300	0.000	1	113.6300	0.000	1	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(COO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHO)(COO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	111.1960	0.000	1	111.1960	0.000	1	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(COO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(COO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	110.6693	0.666	4	110.6693	0.443	4	109.6361	5.315	38	109.6361	5.315	38	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(CCH)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CCH)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(CH3)	104.2635	0.960	2	104.2635	0.921	2	106.9175	24.845	4	109.0019	17.538	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(CCH)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CCH)(OC)(H)	C(CCHO)2(OC)(H)	O(CCCH)(CH3)	114.3380	0.000	1	114.3380	0.000	1	106.9175	24.845	4	109.0019	17.538	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(COO)(OC)(H)	C(CCCO)(CCHO)(OSi)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(COO)(OC)(H)	C(CCCO)(CCHO)(OSi)(H)	O(CC[6a]HH)(CCCH)	104.8050	0.000	1	104.8050	0.000	1	106.9175	24.845	4	109.0019	17.538	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C(CCHO)(CCO)(OSi)(H)	C(CCHO)(CH3)(OC)(H)	O(CCCH)(SiC3)	C(CCHO)(CCO)(OSi)(H)	C(CCHO)(CH3)(OC)(H)	O(CCCH)(SiC3)	111.5860	0.276	2	111.5860	0.076	2	112.4200	1.090	4	109.0019	17.538	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C(CCHO)(CCO)(OSi)(H)	C(CCHO)(CH3)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(CCO)(OSi)(H)	C(CCHO)(CH3)(OSi)(H)	O(CCCH)(SiC3)	113.2540	0.641	2	113.2540	0.410	2	112.4200	1.090	4	109.0019	17.538	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	S-4:C-4:	C(CCHO)(COO)(OS)(H)	C(CCHH)(CCHO)(OH)(H)	O(SC[6a]OO)(CCCH)	C(CCHO)(COO)(OS)(H)	C(CCHH)(CCHO)(OH)(H)	O(SC[6a]OO)(CCCH)	107.2560	0.000	1	107.2560	0.000	1	106.3345	1.698	2	109.0019	17.538	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	S-4:C-4:	C(CCHO)(COO)(OS)(H)	C(CClCH)(CCHO)(OH)(H)	O(SC[6a]OO)(CCCH)	C(CCHO)(COO)(OS)(H)	C(CClCH)(CCHO)(OH)(H)	O(SC[6a]OO)(CCCH)	105.4130	0.000	1	105.4130	0.000	1	106.3345	1.698	2	109.0019	17.538	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:2:2:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:O-2:	C-4:H-1:	C(CCOO)(CNO)(OH)(H)	C(CCHO)(CH3)(OC)2	O(CCCH)(H)	C(CCOO)(CNO)(OH)(H)	C(CCHO)(CH3)(OC)2	O(CCCH)(H)	109.3560	0.000	1	109.3560	0.000	1	109.3560	0.000	1	109.3560	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCC)(OH)(H)	C(CCHH)(CCHO)(CSeN)(H)	O(CCCH)(H)	C(CCCH)(CCC)(OH)(H)	C(CCHH)(CCHO)(CSeN)(H)	O(CCCH)(H)	112.7340	0.000	1	112.7340	0.000	1	110.1923	3.442	15	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCC)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(H)	C(CCCH)(CCC)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(H)	105.8630	0.000	1	105.8630	0.000	1	110.1923	3.442	15	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCH)(OH)(H)	C(CCHN)(CCHO)(COO)(H)	O(CCCH)(H)	C(CCCH)(CCH)(OH)(H)	C(CCHN)(CCHO)(COO)(H)	O(CCCH)(H)	108.5775	0.305	2	108.5775	0.093	2	110.1923	3.442	15	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCO)(OH)(H)	C(CCHO)(CH3)(COO)(H)	O(CCCH)(H)	C(CCCH)(CCO)(OH)(H)	C(CCHO)(CH3)(COO)(H)	O(CCCH)(H)	109.1400	0.000	1	109.1400	0.000	1	110.1923	3.442	15	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CNO)(OH)(H)	C(CCHH)(CCHO)(CCH)(H)	O(CCCH)(H)	C(CCCH)(CNO)(OH)(H)	C(CCHH)(CCHO)(CCH)(H)	O(CCCH)(H)	110.5255	1.551	2	110.5255	2.405	2	110.1923	3.442	15	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CNO)(OH)(H)	C(CCHO)(CH3)(CCC)(H)	O(CCCH)(H)	C(CCCH)(CNO)(OH)(H)	C(CCHO)(CH3)(CCC)(H)	O(CCCH)(H)	111.3883	1.364	3	111.3883	1.861	3	110.1923	3.442	15	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CNO)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(H)	C(CCCH)(CNO)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(H)	109.7255	0.029	2	109.7255	0.001	2	110.1923	3.442	15	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(COO)(OH)(H)	C(CCCH)(CCHO)(CCC)(H)	O(CCCH)(H)	C(CCCH)(COO)(OH)(H)	C(CCCH)(CCHO)(CCC)(H)	O(CCCH)(H)	109.7460	0.000	1	109.7460	0.000	1	110.1923	3.442	15	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(COO)(OH)(H)	C(CC[6a]CH)(CCHO)(CCH)(H)	O(CCCH)(H)	C(CCCH)(COO)(OH)(H)	C(CC[6a]CH)(CCHO)(CCH)(H)	O(CCCH)(H)	111.4840	0.000	1	111.4840	0.000	1	110.1923	3.442	15	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(COO)(OH)(H)	C(CC[6a]HH)(CCHO)(CCH)(H)	O(CCCH)(H)	C(CCCH)(COO)(OH)(H)	C(CC[6a]HH)(CCHO)(CCH)(H)	O(CCCH)(H)	112.0950	0.000	1	112.0950	0.000	1	110.1923	3.442	15	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CCH)(OH)(H)	C(CCHO)(CHHO)(NHS)(H)	O(CCCH)(H)	C(CCHN)(CCH)(OH)(H)	C(CCHO)(CHHO)(NHS)(H)	O(CCCH)(H)	105.0430	0.000	1	105.0430	0.000	1	109.2892	8.306	6	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(COO)(OH)(H)	C(CCHO)(CF3)(NHS)(H)	O(CCCH)(H)	C(CCHN)(COO)(OH)(H)	C(CCHO)(CF3)(NHS)(H)	O(CCCH)(H)	111.0660	3.922	2	111.0660	15.379	2	109.2892	8.306	6	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(COO)(OH)(H)	C(CCHO)(CH3)(NHS)(H)	O(CCCH)(H)	C(CCHN)(COO)(OH)(H)	C(CCHO)(CH3)(NHS)(H)	O(CCCH)(H)	108.5860	0.000	1	108.5860	0.000	1	109.2892	8.306	6	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(COO)(OH)(H)	C(CClCC)(CCHO)(NHS)(H)	O(CCCH)(H)	C(CCHN)(COO)(OH)(H)	C(CClCC)(CCHO)(NHS)(H)	O(CCCH)(H)	109.9870	0.583	2	109.9870	0.339	2	109.2892	8.306	6	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:	C(CC[5]HN)(COO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	O(CCCH)(H)	C(CC[5]HN)(COO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	O(CCCH)(H)	113.0355	0.842	2	113.0355	0.709	2	112.8076	0.600	5	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:1:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:	C(CC[5]HN)(COO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(NCH)(H)	O(CCCH)(H)	C(CC[5]HN)(COO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(NCH)(H)	O(CCCH)(H)	112.6557	0.871	3	112.6557	0.758	3	112.8076	0.600	5	110.4868	5.158	26	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(CCCH)(COO)(OC)(H)	C(CCCH)(CCHO)(CCH)(H)	O(CC[6a]HH)(CCCH)	C(CCCH)(COO)(OC)(H)	C(CCCH)(CCHO)(CCH)(H)	O(CC[6a]HH)(CCCH)	107.2530	2.239	2	107.2530	5.012	2	107.2530	5.012	2	107.5768	2.780	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:S-4:	C(CCCH)(CNO)(OS)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(SCOO)	C(CCCH)(CNO)(OS)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(SCOO)	108.0420	0.000	1	108.0420	0.000	1	108.0420	0.000	1	107.5768	2.780	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:Si-4:	C(CCCH)(CCC)(OSi)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(SiC3)	C(CCCH)(CCC)(OSi)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(SiC3)	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	107.5768	2.780	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(CCH)(OC)(H)	C(CCHO)(CF3)(NHS)(H)	O(CCCH)(CH3)	C(CCHN)(CCH)(OC)(H)	C(CCHO)(CF3)(NHS)(H)	O(CCCH)(CH3)	105.9850	0.000	1	105.9850	0.000	1	105.9850	0.000	1	107.5768	2.780	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:3:2:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C(CCCO)(COO)(OH)(H)	C(CCCO)(CCHO)(COO)(OSi)	O(CCCH)(H)	C(CCCO)(COO)(OH)(H)	C(CCCO)(CCHO)(COO)(OSi)	O(CCCH)(H)	115.0850	0.000	1	115.0850	0.000	1	115.0850	0.000	1	115.0850	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCC)(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCC)(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	O(CCCH)(H)	106.1620	0.000	1	106.1620	0.000	1	110.3188	5.537	16	110.3188	5.537	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCC)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCC)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	111.5830	0.000	1	111.5830	0.000	1	110.3188	5.537	16	110.3188	5.537	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	110.5037	1.651	4	110.5037	2.726	4	110.3188	5.537	16	110.3188	5.537	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCH)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	C(CCCH)(CCH)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	110.7455	0.477	2	110.7455	0.228	2	110.3188	5.537	16	110.3188	5.537	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCH)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCH)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	109.2312	2.506	5	109.2312	6.279	5	110.3188	5.537	16	110.3188	5.537	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCI)(OH)(H)	C(CC[6a]HH)(CCHO)(CHHO)(H)	O(CCCH)(H)	C(CCCH)(CCI)(OH)(H)	C(CC[6a]HH)(CCHO)(CHHO)(H)	O(CCCH)(H)	112.2560	0.000	1	112.2560	0.000	1	110.3188	5.537	16	110.3188	5.537	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCO)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCO)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	O(CCCH)(H)	110.6010	0.000	1	110.6010	0.000	1	110.3188	5.537	16	110.3188	5.537	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CNO)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	C(CCCH)(CNO)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	114.8370	0.000	1	114.8370	0.000	1	110.3188	5.537	16	110.3188	5.537	16	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:	C(CCCH)(CNO)(ON)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(NCH)	C(CCCH)(CNO)(ON)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(NCH)	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(CCH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CH3)	C(CCCH)(CCH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CH3)	110.1516	2.573	11	110.1516	6.619	11	110.1516	6.619	11	109.9469	5.387	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(CCCH)(CCH)(OSi)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(SiC3)	C(CCCH)(CCH)(OSi)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(SiC3)	109.5055	1.057	2	109.5055	1.118	2	109.1963	0.846	3	109.9469	5.387	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:1:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(CCCH)(CCN)(OSi)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(SiC3)	C(CCCH)(CCN)(OSi)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(SiC3)	108.5780	0.000	1	108.5780	0.000	1	109.1963	0.846	3	109.9469	5.387	14	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:2:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:C-2:	C-4:H-1:	C(CC3)(CCH)(OH)(H)	C(CCHO)(CH3)2(CC)	O(CCCH)(H)	C(CC3)(CCH)(OH)(H)	C(CCHO)(CH3)2(CC)	O(CCCH)(H)	110.5535	0.046	2	110.5535	0.002	2	110.5535	0.002	2	110.0556	5.940	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:2:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CCH)(OH)(H)	C(CCHO)2(CH3)(OSi)	O(CCCH)(H)	C(CCCO)(CCH)(OH)(H)	C(CCHO)2(CH3)(OSi)	O(CCCH)(H)	112.0430	0.000	1	112.0430	0.000	1	109.7237	11.466	3	110.0556	5.940	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:2:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CCO)(OH)(H)	C(CCHO)(CH3)2(OH)	O(CCCH)(H)	C(CCCO)(CCO)(OH)(H)	C(CCHO)(CH3)2(OH)	O(CCCH)(H)	105.8380	0.000	1	105.8380	0.000	1	109.7237	11.466	3	110.0556	5.940	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:2:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(COO)(OH)(H)	C(CCHO)(CHHO)(CF3)(OH)	O(CCCH)(H)	C(CCCO)(COO)(OH)(H)	C(CCHO)(CHHO)(CF3)(OH)	O(CCCH)(H)	111.2900	0.000	1	111.2900	0.000	1	109.7237	11.466	3	110.0556	5.940	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:4:	4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC3)(COO)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	C(CC3)(COO)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	112.2800	0.560	2	112.2800	0.314	2	112.2800	0.314	2	112.2800	0.314	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:4:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(CC3)(CCH)(OC)(H)	C(CCHH)(CCHO)(CH3)2	O(CCCH)(CH3)	C(CC3)(CCH)(OC)(H)	C(CCHH)(CCHO)(CH3)2	O(CCCH)(CH3)	106.4240	0.000	1	106.4240	0.000	1	107.1930	0.548	3	107.1930	0.548	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:4:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(CC3)(CCH)(OC)(H)	C(CCHO)(CH3)3	O(CCCH)(CHHO)	C(CC3)(CCH)(OC)(H)	C(CCHO)(CH3)3	O(CCCH)(CHHO)	107.2540	0.000	1	107.2540	0.000	1	107.1930	0.548	3	107.1930	0.548	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:1:	4:4:4:4:	4:4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(CC3)(CCO)(OC)(H)	C(CCHO)(CH3)3	O(CC[6a]HH)(CCCH)	C(CC3)(CCO)(OC)(H)	C(CCHO)(CH3)3	O(CC[6a]HH)(CCCH)	107.9010	0.000	1	107.9010	0.000	1	107.1930	0.548	3	107.1930	0.548	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:2:	3:4:1:1:	4:1:	C-4:C-3:C-2:O-2:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5a]HH)(COO)(CC)(OH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	O(CC3)(H)	C(CC[5a]HH)(COO)(CC)(OH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	O(CC3)(H)	107.1790	0.000	1	107.1790	0.000	1	107.1790	0.000	1	110.7035	16.771	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:2:	3:4:1:1:	4:1:	C-4:C-3:C-2:O-2:	C[6a]-3:C-4:Br-1:H-1:	C-4:H-1:	C(CC[6a]BrH)(CNO)(CN)(OH)	C(C[6a]C[6a]2)(CCCO)(Br)(H)	O(CC3)(H)	C(CC[6a]BrH)(CNO)(CN)(OH)	C(C[6a]C[6a]2)(CCCO)(Br)(H)	O(CC3)(H)	114.7920	0.000	1	114.7920	0.000	1	114.7920	0.000	1	110.7035	16.771	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:2:	3:4:1:1:	4:1:	C-4:C-3:O-2:O-2:	C[6a]-3:C-4:Cl-1:H-1:	C-4:H-1:	C(CC[6a]ClH)(CNO)(OH)2	C(C[6a]C[6a]2)(CCOO)(Cl)(H)	O(CCCO)(H)	C(CC[6a]ClH)(CNO)(OH)2	C(C[6a]C[6a]2)(CCOO)(Cl)(H)	O(CCCO)(H)	110.4215	4.584	2	110.4215	21.015	2	110.4215	21.015	2	110.7035	16.771	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:2:	4:1:1:1:	4:1:	C-4:C-3:C-2:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CF3)(COO)(CC)(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CF3)(COO)(CC)(OH)	C(CCCO)(F)3	O(CC3)(H)	106.2270	0.000	1	106.2270	0.000	1	106.2270	0.000	1	106.1733	3.187	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:2:2:	4:1:1:1:	4:1:	C-4:C-3:O-2:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CF3)(CCH)(OH)2	C(CCOO)(F)3	O(CCCO)(H)	C(CF3)(CCH)(OH)2	C(CCOO)(F)3	O(CCCO)(H)	106.1465	2.524	2	106.1465	6.369	2	106.1465	6.369	2	106.1733	3.187	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	3:3:4:1:	4:1:	C-4:C-3:C-3:O-2:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(CC[5a]C[6a]H)(COO)2(OH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCCO)(H)	O(CC3)(H)	C(CC[5a]C[6a]H)(COO)2(OH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCCO)(H)	O(CC3)(H)	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	109.7235	0.090	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	3:3:4:1:	4:1:	C-4:C-3:C-3:O-2:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]N[5a]H)(COO)2(OH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCCO)(H)	O(CC3)(H)	C(CC[6a]N[5a]H)(COO)2(OH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCCO)(H)	O(CC3)(H)	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	109.7235	0.090	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	3:3:4:1:	4:4:	C-4:C-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:	C(CC[6a]2H)(COO)2(OC)	C(C[6a]C[6a]2)2(CCCO)(H)	O(CC[6a]HO)(CC3)	C(CC[6a]2H)(COO)2(OC)	C(C[6a]C[6a]2)2(CCCO)(H)	O(CC[6a]HO)(CC3)	114.4325	0.494	2	114.4325	0.244	2	114.4325	0.244	2	114.4325	0.244	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	3:4:1:1:	4:1:	C-4:C-3:C-3:O-2:	C-3:C-4:Cl-1:Cl-1:	C-4:H-1:	C(CCl2C)(COO)2(OH)	C(CC[5a]O)(CCCO)(Cl)2	O(CC3)(H)	C(CCl2C)(COO)2(OH)	C(CC[5a]O)(CCCO)(Cl)2	O(CC3)(H)	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	109.8083	3.572	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	3:4:1:1:	4:1:	C-4:C-3:C-3:O-2:	C-3:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCH)(COO)(OH)	C(CC[6a]O)(CCCO)(H)2	O(CC3)(H)	C(CCHH)(CCH)(COO)(OH)	C(CC[6a]O)(CCCO)(H)2	O(CC3)(H)	111.3600	0.000	1	111.3600	0.000	1	111.3600	0.000	1	109.8083	3.572	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	3:4:1:1:	4:1:	C-4:C-3:C-3:O-2:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5a]HH)(CCH)(COO)(OH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	O(CC3)(H)	C(CC[5a]HH)(CCH)(COO)(OH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	O(CC3)(H)	107.0760	0.000	1	107.0760	0.000	1	107.0760	0.000	1	109.8083	3.572	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	3:4:1:1:	4:1:	C-4:C-3:C-3:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(CCH)2(OH)	C(N[5a]C[5a]N[5a])(CCCO)(H)2	O(CC3)(H)	C(CN[5a]HH)(CCH)2(OH)	C(N[5a]C[5a]N[5a])(CCCO)(H)2	O(CC3)(H)	110.6690	0.000	1	110.6690	0.000	1	110.6690	0.000	1	109.8083	3.572	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	3:4:1:1:	4:2:	C-4:C-3:C-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:	C(CC[6a]HH)(CCO)2(OO)	C(C[6a]C[6a]2)(CCCO)(H)2	O(CC3)(OC)	C(CC[6a]HH)(CCO)2(OO)	C(C[6a]C[6a]2)(CCCO)(H)2	O(CC3)(OC)	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	3:4:1:1:	4:3:	C-4:C-3:C-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:	C(CC[6a]HH)(CCO)(COS)(ON)	C(C[6a]C[6a]2)(CCCO)(H)2	O(CC3)(NCH)	C(CC[6a]HH)(CCO)(COS)(ON)	C(C[6a]C[6a]2)(CCCO)(H)2	O(CC3)(NCH)	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	3:4:2:1:	4:1:	C-4:C-3:C-3:O-2:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:	C(CC[6a]HN)(CCO)2(OH)	C(C[6a]C[6a]2)(CCCO)(NC)(H)	O(CC3)(H)	C(CC[6a]HN)(CCO)2(OH)	C(C[6a]C[6a]2)(CCCO)(NC)(H)	O(CC3)(H)	110.6910	0.000	1	110.6910	0.000	1	110.6910	0.000	1	111.1565	0.433	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	3:4:2:1:	4:1:	C-4:C-3:C-3:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(CCH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(OP)(H)	O(CC3)(H)	C(CC[6a]HO)(CCH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(OP)(H)	O(CC3)(H)	111.6220	0.000	1	111.6220	0.000	1	111.6220	0.000	1	111.1565	0.433	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	3:4:3:1:	4:1:	C-4:C-3:C-3:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(CC[6a]CH)(CCH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	O(CC3)(H)	C(CC[6a]CH)(CCH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	O(CC3)(H)	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	3:4:3:2:	4:1:	C-4:C-3:C-3:O-2:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C(CC[6a]CO)(CCH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(COO)(OC)	O(CC3)(H)	C(CC[6a]CO)(CCH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(COO)(OC)	O(CC3)(H)	110.5650	0.000	1	110.5650	0.000	1	110.5650	0.000	1	110.5650	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	4:1:1:1:	4:1:	C-4:C-3:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CF3)(CCH)(COO)(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CF3)(CCH)(COO)(OH)	C(CCCO)(F)3	O(CC3)(H)	105.3640	0.813	2	105.3640	0.661	2	105.3640	0.661	2	108.3882	7.006	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	4:1:1:1:	4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)(CCH)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CH3)(CCH)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	109.0797	2.380	3	109.0797	5.663	3	109.3963	4.798	6	108.3882	7.006	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	4:1:1:1:	4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)(CCO)(COS)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CH3)(CCO)(COS)(OH)	C(CCCO)(H)3	O(CC3)(H)	108.3545	0.995	2	108.3545	0.990	2	109.3963	4.798	6	108.3882	7.006	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	4:1:1:1:	4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)(CHS)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CH3)(CHS)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	112.4300	0.000	1	112.4300	0.000	1	109.3963	4.798	6	108.3882	7.006	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	4:3:1:1:	4:1:	C-4:C-3:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CCO)2(OH)	C(CCCO)(CCH)(H)2	O(CC3)(H)	C(CCHH)(CCO)2(OH)	C(CCCO)(CCH)(H)2	O(CC3)(H)	110.3010	0.000	2	110.3010	0.000	2	110.3010	0.000	2	110.3010	0.000	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	4:3:2:1:	4:1:	C-4:C-3:C-3:O-2:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(CCH)(COO)(OH)	C(CCCO)(CCO)(OC)(H)	O(CC3)(H)	C(CCHO)(CCH)(COO)(OH)	C(CCCO)(CCO)(OC)(H)	O(CC3)(H)	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	4:3:3:1:	4:1:	C-4:C-3:C-3:O-2:	C-4:C-3:C-3:H-1:	C-4:H-1:	C(CCCH)(COO)2(OH)	C(CCCO)(COO)2(H)	O(CC3)(H)	C(CCCH)(COO)2(OH)	C(CCCO)(COO)2(H)	O(CC3)(H)	109.1220	0.000	1	109.1220	0.000	1	109.1220	0.000	1	111.1125	7.924	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	4:3:3:1:	4:1:	C-4:C-3:C-3:O-2:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(CCHN)(CCH)(COO)(OH)	C(CCCO)(COO)(NCC)(H)	O(CC3)(H)	C(CCHN)(CCH)(COO)(OH)	C(CCCO)(COO)(NCC)(H)	O(CC3)(H)	113.1030	0.000	1	113.1030	0.000	1	113.1030	0.000	1	111.1125	7.924	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	4:4:3:1:	4:1:	C-4:C-3:C-3:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCH)(COO)(OH)	C(CCCO)(CH3)(CCH)(H)	O(CC3)(H)	C(CCCH)(CCH)(COO)(OH)	C(CCCO)(CH3)(CCH)(H)	O(CC3)(H)	108.8730	0.372	2	108.8730	0.138	2	108.9958	1.529	4	108.9958	1.529	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	4:4:3:1:	4:1:	C-4:C-3:C-3:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCH)(COO)(OH)	C(CSiHH)(CCCO)(CCH)(H)	O(CC3)(H)	C(CCCH)(CCH)(COO)(OH)	C(CSiHH)(CCCO)(CCH)(H)	O(CC3)(H)	107.6370	0.000	1	107.6370	0.000	1	108.9958	1.529	4	108.9958	1.529	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	4:4:3:1:	4:1:	C-4:C-3:C-3:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCO)(CNO)(OH)	C(CCCO)(CH3)(CCH)(H)	O(CC3)(H)	C(CCCH)(CCO)(CNO)(OH)	C(CCCO)(CH3)(CCH)(H)	O(CC3)(H)	110.6000	0.000	1	110.6000	0.000	1	108.9958	1.529	4	108.9958	1.529	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:3:2:	4:4:3:2:	4:4:	C-4:C-3:C-3:O-2:	C-4:C-4:C-3:O-2:	Si-4:C-4:	C(CCCO)(CCH)(COO)(OSi)	C(CCCO)(CCHO)(COO)(OSi)	O(SiC3)(CC3)	C(CCCO)(CCH)(COO)(OSi)	C(CCCO)(CCHO)(COO)(OSi)	O(SiC3)(CC3)	104.2990	0.000	1	104.2990	0.000	1	104.2990	0.000	1	104.2990	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[3]-4:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(CH3)(OH)	C(CC[6a]C[3]O)(H)3	O(CC[6a]C[3]C)(H)	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(CH3)(OH)	C(CC[6a]C[3]O)(H)3	O(CC[6a]C[3]C)(H)	110.0030	0.000	1	110.0030	0.000	1	110.0030	0.000	1	109.0756	4.501	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[5,5]-4:C[5]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5,5]C[5,5]N[5]O[5])(C[5]C[5]N[5])(CH3)(OH)	C(CC[5,5]C[5]O)(H)3	O(CC[5,5]C[5]C)(H)	C(C[5,5]C[5,5]N[5]O[5])(C[5]C[5]N[5])(CH3)(OH)	C(CC[5,5]C[5]O)(H)3	O(CC[5,5]C[5]C)(H)	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	109.0756	4.501	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[5]-4:C-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CC[5]O)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CC[5]O)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	107.7320	2.182	2	107.7320	4.762	2	107.7320	4.762	2	109.0756	4.501	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:Br-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CBrHH)(OH)	C(CC[6a]C[5]O)(Br)(H)2	O(CC[6a]C[5]C)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CBrHH)(OH)	C(CC[6a]C[5]O)(Br)(H)2	O(CC[6a]C[5]C)(H)	110.4540	0.000	1	110.4540	0.000	1	110.4540	0.000	1	109.0756	4.501	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(OH)	C(CC[6a]C[5]O)(H)3	O(CC[6a]C[5]C)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(OH)	C(CC[6a]C[5]O)(H)3	O(CC[6a]C[5]C)(H)	110.1070	0.000	1	110.1070	0.000	1	107.7153	7.692	3	109.0756	4.501	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(OH)	C(CC[6a]C[5]O)(H)3	O(CC[6a]C[5]C)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(OH)	C(CC[6a]C[5]O)(H)3	O(CC[6a]C[5]C)(H)	106.5195	2.609	2	106.5195	6.804	2	107.7153	7.692	3	109.0756	4.501	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	C(CC[6a]C[6]O)(H)3	O(CC[6a]C[6]C)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	C(CC[6a]C[6]O)(H)3	O(CC[6a]C[6]C)(H)	109.3863	0.304	3	109.3863	0.092	3	109.3863	0.092	3	109.0756	4.501	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:4:2:	4:1:1:1:	4:4:	C[5,6]-4:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(CH3)(OC)	C(CC[5,6]C[6a]O)(H)3	O(CC[5,6]C[6a]C)(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(CH3)(OC)	C(CC[5,6]C[6a]O)(H)3	O(CC[5,6]C[6a]C)(CC[5,6]HH)	102.6855	0.344	2	102.6855	0.119	2	102.6855	0.119	2	105.5657	24.945	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:4:2:	4:1:1:1:	4:4:	C[6]-4:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:I-1:	C-4:C-4:	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	C(CC[6a]C[6]O)(H)2(I)	O(CC[6a]C[6]C)(CH3)	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	C(CC[6a]C[6]O)(H)2(I)	O(CC[6a]C[6]C)(CH3)	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	105.5657	24.945	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:4:2:	4:4:1:1:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:C-4:F-1:F-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCFF)(OH)	C(CC[6a]C[5]O)(CF3)(F)2	O(CC[6a]C[5]C)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCFF)(OH)	C(CC[6a]C[5]O)(CF3)(F)2	O(CC[6a]C[5]C)(H)	104.5020	0.000	1	104.5020	0.000	1	104.5020	0.000	1	106.6930	8.238	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:4:2:	4:4:1:1:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCHH)(OH)	C(CC[6a]C[5]O)(CH3)(H)2	O(CC[6a]C[5]C)(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCHH)(OH)	C(CC[6a]C[5]O)(CH3)(H)2	O(CC[6a]C[5]C)(H)	109.9420	0.000	1	109.9420	0.000	1	107.7885	9.275	2	106.6930	8.238	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:4:2:	4:4:1:1:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(CCHH)(OH)	C(CC[6a]C[5]O)(CCHH)(H)2	O(CC[6a]C[5]C)(H)	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(CCHH)(OH)	C(CC[6a]C[5]O)(CCHH)(H)2	O(CC[6a]C[5]C)(H)	105.6350	0.000	1	105.6350	0.000	1	107.7885	9.275	2	106.6930	8.238	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:3:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCCH)(OH)	C(CC[6a]C[5]O)(CH3)2(H)	O(CC[6a]C[5]C)(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCCH)(OH)	C(CC[6a]C[5]O)(CH3)2(H)	O(CC[6a]C[5]C)(H)	105.6295	0.152	2	105.6295	0.023	2	105.6295	0.023	2	105.6295	0.023	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:	C(CCHO)(CHHO)(OH)(H)	C(OC[6])(CCHO)(H)2	O(CCCH)(H)	C(CCHO)(CHHO)(OH)(H)	C(OC[6])(CCHO)(H)2	O(CCCH)(H)	108.5860	1.203	2	108.5860	1.448	2	109.5091	6.055	66	109.3629	6.130	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	O(CCCH)(H)	110.7990	0.000	1	110.7990	0.000	1	109.5091	6.055	66	109.3629	6.130	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	O(CCCH)(H)	C(CHHN)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	O(CCCH)(H)	109.3323	2.837	12	109.3323	8.046	12	109.5091	6.055	66	109.3629	6.130	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:	C(CHHO)(CH3)(OH)(H)	C(OC[6a])(CCHO)(H)2	O(CCCH)(H)	C(CHHO)(CH3)(OH)(H)	C(OC[6a])(CCHO)(H)2	O(CCCH)(H)	108.2920	0.663	2	108.2920	0.440	2	109.5091	6.055	66	109.3629	6.130	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:	C(CHHO)2(OH)(H)	C(OC[5])(CCHO)(H)2	O(CCCH)(H)	C(CHHO)2(OH)(H)	C(OC[5])(CCHO)(H)2	O(CCCH)(H)	111.0520	0.000	1	111.0520	0.000	1	109.5091	6.055	66	109.3629	6.130	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:	C(CHHO)2(OH)(H)	C(OC[6])(CCHO)(H)2	O(CCCH)(H)	C(CHHO)2(OH)(H)	C(OC[6])(CCHO)(H)2	O(CCCH)(H)	111.2340	0.000	1	111.2340	0.000	1	109.5091	6.055	66	109.3629	6.130	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:	C(CHHO)2(OH)(H)	C(OC[6a])(CCHO)(H)2	O(CCCH)(H)	C(CHHO)2(OH)(H)	C(OC[6a])(CCHO)(H)2	O(CCCH)(H)	109.0255	2.405	39	109.0255	5.784	39	109.5091	6.055	66	109.3629	6.130	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	O(CCCH)(H)	C(CN[6]HH)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	O(CCCH)(H)	112.0969	1.110	8	112.0969	1.233	8	109.5091	6.055	66	109.3629	6.130	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	S-2:C-4:H-1:H-1:	C-4:H-1:	C(CCHN)(CHHS)(OH)(H)	C(SC[5a])(CCHO)(H)2	O(CCCH)(H)	C(CCHN)(CHHS)(OH)(H)	C(SC[5a])(CCHO)(H)2	O(CCCH)(H)	113.1770	0.000	1	113.1770	0.000	1	108.6414	6.761	14	109.3629	6.130	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	S-2:C-4:H-1:H-1:	C-4:H-1:	C(CCHN)(CHHS)(OH)(H)	C(SC[6a])(CCHO)(H)2	O(CCCH)(H)	C(CCHN)(CHHS)(OH)(H)	C(SC[6a])(CCHO)(H)2	O(CCCH)(H)	108.2950	0.000	1	108.2950	0.000	1	108.6414	6.761	14	109.3629	6.130	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	S-2:C-4:H-1:H-1:	C-4:H-1:	C(CHHS)(CH3)(OH)(H)	C(SC[5])(CCHO)(H)2	O(CCCH)(H)	C(CHHS)(CH3)(OH)(H)	C(SC[5])(CCHO)(H)2	O(CCCH)(H)	108.2923	2.445	12	108.2923	5.977	12	108.6414	6.761	14	109.3629	6.130	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:1:1:	4:1:	C-4:P-4:O-2:H-1:	S-2:C-4:H-1:H-1:	C-4:H-1:	C(CHHS)(PCCO)(OH)(H)	C(SC[6a])(CHOP)(H)2	O(CCHP)(H)	C(CHHS)(PCCO)(OH)(H)	C(SC[6a])(CHOP)(H)2	O(CCHP)(H)	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	109.3629	6.130	81	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHO)2(OC)(H)	C(OC[6,6])(CCHO)(H)2	O(CCCH)(CCHH)	C(CHHO)2(OC)(H)	C(OC[6,6])(CCHO)(H)2	O(CCCH)(CCHH)	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	S-2:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(CHOS)(OC)(H)	C(SC[6a])(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(CHOS)(OC)(H)	C(SC[6a])(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	110.7390	0.000	1	110.7390	0.000	1	110.7390	0.000	1	110.7390	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-3:H-1:	C-4:C-4:	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHO)(CCH)(H)	O(CCCH)(CCHH)	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHO)(CCH)(H)	O(CCCH)(CCHH)	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(OC[5])(CCHH)(CCHO)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(OC[5])(CCHH)(CCHO)(H)	O(CCCH)(H)	114.1920	0.000	1	114.1920	0.000	1	109.9950	11.803	4	110.4244	9.774	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:	C(CCHO)(CH3)(OH)(H)	C(OC[5])(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCHO)(CH3)(OH)(H)	C(OC[5])(CCHO)(CH3)(H)	O(CCCH)(H)	110.1990	0.000	1	110.1990	0.000	1	109.9950	11.803	4	110.4244	9.774	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:	C(CCHO)(CH3)(OH)(H)	C(OC[6])(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCHO)(CH3)(OH)(H)	C(OC[6])(CCHO)(CH3)(H)	O(CCCH)(H)	109.8030	0.000	1	109.8030	0.000	1	109.9950	11.803	4	110.4244	9.774	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:	C(CC[6]HO)(CCHO)(OH)(H)	C(OC[6])(CCHO)(CHHO)(H)	O(CCCH)(H)	C(CC[6]HO)(CCHO)(OH)(H)	C(OC[6])(CCHO)(CHHO)(H)	O(CCCH)(H)	105.7860	0.000	1	105.7860	0.000	1	109.9950	11.803	4	110.4244	9.774	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:4:1:	4:1:	C-4:P-4:O-2:H-1:	S-2:C-4:C-4:H-1:	C-4:H-1:	C(CCHS)(PO3)(OH)(H)	C(SC[6a])(CCHN)(CHOP)(H)	O(CCHP)(H)	C(CCHS)(PO3)(OH)(H)	C(SC[6a])(CCHN)(CHOP)(H)	O(CCHP)(H)	112.1420	0.000	1	112.1420	0.000	1	112.1420	0.000	1	110.4244	9.774	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:4:3:	4:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-3:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(OC[6])(CCHO)(CH3)(CCH)	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(OC[6])(CCHO)(CH3)(CCH)	O(CCCH)(H)	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	108.0130	3.688	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:4:3:	4:1:	C-4:C-4:O-2:H-1:	Se-2:C-4:C-4:C-3:	C-4:H-1:	C(CSeCC)(CCHN)(OH)(H)	C(SeC[6a])(CCHO)(CH3)(COO)	O(CCCH)(H)	C(CSeCC)(CCHN)(OH)(H)	C(SeC[6a])(CCHO)(CH3)(COO)	O(CCCH)(H)	106.6550	0.000	1	106.6550	0.000	1	106.6550	0.000	1	108.0130	3.688	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:4:4:	4:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-4:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(OC[6])(CCHO)(CH3)2	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(OC[6])(CCHO)(CH3)2	O(CCCH)(H)	110.6087	2.951	6	110.6087	8.711	6	110.2391	8.215	7	110.2391	8.215	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:4:4:	4:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-4:	C-4:H-1:	C(CCCO)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(CH3)2	O(CCCH)(H)	C(CCCO)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(CH3)2	O(CCCH)(H)	108.0220	0.000	1	108.0220	0.000	1	110.2391	8.215	7	110.2391	8.215	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:4:4:	4:4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-4:	C-4:C-4:	C(CCCO)(CCHH)(OC)(H)	C(OC[6])(CCHH)(CCHO)(CH3)	O(CCCH)(CC3)	C(CCCO)(CCHH)(OC)(H)	C(OC[6])(CCHH)(CCHO)(CH3)	O(CCCH)(CC3)	106.6380	0.000	1	106.6380	0.000	1	106.5780	0.039	3	106.5780	0.039	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	2:4:4:4:	4:4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-4:	C-4:C-4:	C(CCCO)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(CH3)2	O(CC[6a]CO)(CCCH)	C(CCCO)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(CH3)2	O(CC[6a]CO)(CCCH)	106.5480	0.270	2	106.5480	0.073	2	106.5780	0.039	3	106.5780	0.039	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:3:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]2H)(CHHO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	O(CCCH)(H)	C(CC[6a]2H)(CHHO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	O(CCCH)(H)	111.3590	0.000	1	111.3590	0.000	1	111.3590	0.000	1	109.6694	4.722	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:3:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]N[5]H)(CH3)(OH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]N[5]H)(CH3)(OH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	O(CCCH)(H)	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	109.6694	4.722	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:3:4:1:	4:1:	C-4:C-4:O-2:H-1:	N-3:N-3:C-4:H-1:	C-4:H-1:	C(CHHO)(CHNN)(OH)(H)	C(NC[5a]H)2(CCHO)(H)	O(CCCH)(H)	C(CHHO)(CHNN)(OH)(H)	C(NC[5a]H)2(CCHO)(H)	O(CCCH)(H)	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	109.6694	4.722	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:3:4:1:	4:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	O(CCCH)(H)	111.7350	0.000	1	111.7350	0.000	1	111.7350	0.000	1	109.6694	4.722	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:3:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	C(C[6a]C[6a]2)2(CC[6]HO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	C(C[6a]C[6a]2)2(CC[6]HO)(H)	O(CC[6]CH)(H)	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	109.6694	4.722	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:3:4:1:	4:4:	C-4:C-4:O-2:H-1:	C[6a]-3:S-3:C-4:H-1:	P-4:C-4:	C(CC[6a]HS)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(SC[3x6]Pd)(CCHO)(H)	O(PC[6a]2Pd)(CCCH)	C(CC[6a]HS)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(SC[3x6]Pd)(CCHO)(H)	O(PC[6a]2Pd)(CCCH)	110.1700	0.000	1	110.1700	0.000	1	110.1700	0.000	1	110.1700	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:3:4:2:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:H-1:	C(CC[6a]2O)(CCHO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(OH)	O(CCCH)(H)	C(CC[6a]2O)(CCHO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(OH)	O(CCCH)(H)	109.8933	0.655	6	109.8933	0.429	6	109.8933	0.429	6	109.8933	0.429	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(OH)(H)	C(CN[5]O)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CH3)(OH)(H)	C(CN[5]O)(CCHO)(H)2	O(CCCH)(H)	112.2380	0.000	1	112.2380	0.000	1	109.8370	4.879	3	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(OH)(H)	C(CC[5a]O)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)2(OH)(H)	C(CC[5a]O)(CCHO)(H)2	O(CCCH)(H)	107.8910	0.000	1	107.8910	0.000	1	109.8370	4.879	3	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(OH)(H)	C(CC[6]O)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)2(OH)(H)	C(CC[6]O)(CCHO)(H)2	O(CCCH)(H)	109.3820	0.000	1	109.3820	0.000	1	109.8370	4.879	3	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2)(CCHO)(H)2	O(CCCH)(H)	108.9155	1.974	8	108.9155	3.896	8	110.5929	12.772	11	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CH3)(OH)(H)	C(C[5]N[5]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[5]HH)(CH3)(OH)(H)	C(C[5]N[5]2)(CCHO)(H)2	O(CCCH)(H)	115.0660	2.993	3	115.0660	8.956	3	110.5929	12.772	11	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5a]HH)(CCl3)(OH)(H)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	O(CCCH)(H)	C(CC[5a]HH)(CCl3)(OH)(H)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	O(CCCH)(H)	109.8330	0.000	1	109.8330	0.000	1	109.3734	2.492	9	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5a]HH)(CH3)(OH)(H)	C(C[5a]N[5a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[5a]HH)(CH3)(OH)(H)	C(C[5a]N[5a]2)(CCHO)(H)2	O(CCCH)(H)	109.9798	1.336	6	109.9798	1.784	6	109.3734	2.492	9	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5a]HH)(CH3)(OH)(H)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	O(CCCH)(H)	C(CC[5a]HH)(CH3)(OH)(H)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	O(CCCH)(H)	107.3245	0.453	2	107.3245	0.205	2	109.3734	2.492	9	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	112.0780	0.000	1	112.0780	0.000	1	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCCO)(OH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CCCO)(OH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHO)(H)2	O(CCCH)(H)	107.2510	1.690	2	107.2510	2.856	2	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	108.6993	0.857	12	108.6993	0.734	12	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	O(CCCH)(H)	112.0475	0.851	2	112.0475	0.724	2	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CCHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	109.4960	0.000	1	109.4960	0.000	1	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	109.3852	1.712	6	109.3852	2.930	6	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CC[6]HH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CC[6]HH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	107.7910	1.267	2	107.7910	1.606	2	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	108.3165	1.237	2	108.3165	1.530	2	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCl2H)(OH)(H)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CCl2H)(OH)(H)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	O(CCCH)(H)	113.2120	0.000	1	113.2120	0.000	1	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCl3)(OH)(H)	C(C[6a]N[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CCl3)(OH)(H)	C(C[6a]N[6a]2)(CCHO)(H)2	O(CCCH)(H)	113.5010	0.000	1	113.5010	0.000	1	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CClCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CClCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	107.5230	0.000	1	107.5230	0.000	1	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	109.3064	1.525	7	109.3064	2.327	7	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CH3)(OH)(H)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CH3)(OH)(H)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	O(CCCH)(H)	110.3310	0.147	2	110.3310	0.022	2	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CHHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CHHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	110.9323	0.974	3	110.9323	0.948	3	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	109.0540	0.000	1	109.0540	0.000	1	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CN[5]CH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CN[5]CH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	109.4445	3.183	2	109.4445	10.130	2	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CN[6]HH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CN[6]HH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	111.3090	0.000	1	111.3090	0.000	1	109.4719	3.186	47	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(CH3)(OH)(H)	C(NC[5a]C[6a])(CCHO)(H)2	O(CCCH)(H)	C(CHHN)(CH3)(OH)(H)	C(NC[5a]C[6a])(CCHO)(H)2	O(CCCH)(H)	106.9510	0.000	1	106.9510	0.000	1	110.8948	5.056	5	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(CH3)(OH)(H)	C(NC[6]H)(CCHO)(H)2	O(CCCH)(H)	C(CHHN)(CH3)(OH)(H)	C(NC[6]H)(CCHO)(H)2	O(CCCH)(H)	111.7640	0.000	1	111.7640	0.000	1	110.8948	5.056	5	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(CHHO)(OH)(H)	C(NC[6]S)(CCHO)(H)2	O(CCCH)(H)	C(CHHN)(CHHO)(OH)(H)	C(NC[6]S)(CCHO)(H)2	O(CCCH)(H)	112.6260	0.000	1	112.6260	0.000	1	110.8948	5.056	5	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(NC[6a]H)(CCHO)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(NC[6a]H)(CCHO)(H)2	O(CCCH)(H)	111.6560	0.000	1	111.6560	0.000	1	110.8948	5.056	5	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(CHHN)(OH)(H)	C(NC[6a]H)(CCHO)(H)2	O(CCCH)(H)	C(CN[6]HH)(CHHN)(OH)(H)	C(NC[6a]H)(CCHO)(H)2	O(CCCH)(H)	111.4770	0.000	1	111.4770	0.000	1	110.8948	5.056	5	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CCCH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(H)	C(CN[5]HH)(CCCH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(H)	110.4300	0.000	1	110.4300	0.000	1	110.6966	5.505	10	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CCHH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(H)	C(CN[5]HH)(CCHH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(H)	109.7890	0.000	1	109.7890	0.000	1	110.6966	5.505	10	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CClHH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(H)	C(CN[5]HH)(CClHH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(H)	109.4620	0.000	1	109.4620	0.000	1	110.6966	5.505	10	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CH3)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(H)	C(CN[5]HH)(CH3)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(H)	111.5360	0.000	1	111.5360	0.000	1	110.6966	5.505	10	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CHHN)(OH)(H)	C(N[5]C[5,6]C[5])(CCHO)(H)2	O(CCCH)(H)	C(CN[5]HH)(CHHN)(OH)(H)	C(N[5]C[5,6]C[5])(CCHO)(H)2	O(CCCH)(H)	114.2710	0.549	2	114.2710	0.301	2	110.6966	5.505	10	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CHHO)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(H)	C(CN[5]HH)(CHHO)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(H)	108.7240	0.000	1	108.7240	0.000	1	110.6966	5.505	10	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CN[6]HH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(H)	C(CN[5]HH)(CN[6]HH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(H)	109.7870	0.000	1	109.7870	0.000	1	110.6966	5.505	10	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)2(OH)(H)	C(N[5]C[5]N[5])(CCHO)(H)2	O(CCCH)(H)	C(CN[5]HH)2(OH)(H)	C(N[5]C[5]N[5])(CCHO)(H)2	O(CCCH)(H)	109.3480	3.495	2	109.3480	12.212	2	110.6966	5.505	10	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(CCHH)(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	O(CCCH)(H)	C(CN[5a]HH)(CCHH)(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	O(CCCH)(H)	111.3930	0.000	1	111.3930	0.000	1	109.2626	6.709	26	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(CClHH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	O(CCCH)(H)	C(CN[5a]HH)(CClHH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	O(CCCH)(H)	111.0530	0.000	1	111.0530	0.000	1	109.2626	6.709	26	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(CClHH)(OH)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	O(CCCH)(H)	C(CN[5a]HH)(CClHH)(OH)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	O(CCCH)(H)	109.4710	2.513	13	109.4710	6.317	13	109.2626	6.709	26	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(CH3)(OH)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	O(CCCH)(H)	C(CN[5a]HH)(CH3)(OH)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	O(CCCH)(H)	106.5262	0.428	5	106.5262	0.184	5	109.2626	6.709	26	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(CH3)(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	O(CCCH)(H)	C(CN[5a]HH)(CH3)(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	O(CCCH)(H)	111.2200	0.000	1	111.2200	0.000	1	109.2626	6.709	26	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(CN[6]HH)(OH)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	O(CCCH)(H)	C(CN[5a]HH)(CN[6]HH)(OH)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	O(CCCH)(H)	109.4540	0.000	1	109.4540	0.000	1	109.2626	6.709	26	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)2(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	O(CCCH)(H)	C(CN[5a]HH)2(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	O(CCCH)(H)	110.0477	4.076	3	110.0477	16.616	3	109.2626	6.709	26	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)2(OH)(H)	C(N[5a]N[5a]2)(CCHO)(H)2	O(CCCH)(H)	C(CN[5a]HH)2(OH)(H)	C(N[5a]N[5a]2)(CCHO)(H)2	O(CCCH)(H)	111.8110	0.000	1	111.8110	0.000	1	109.2626	6.709	26	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	O(CCCH)(H)	107.6950	0.000	1	107.6950	0.000	1	108.0918	2.462	5	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	O(CCCH)(H)	C(CN[5]HH)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	O(CCCH)(H)	109.8320	0.000	1	109.8320	0.000	1	108.0918	2.462	5	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	O(CCCH)(H)	C(CN[5a]HH)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	O(CCCH)(H)	106.3980	0.000	1	106.3980	0.000	1	108.0918	2.462	5	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(CHHN)(OH)(H)	C(N[6]C[6,6a]C[6])(CCHO)(H)2	O(CCCH)(H)	C(CN[6]HH)(CHHN)(OH)(H)	C(N[6]C[6,6a]C[6])(CCHO)(H)2	O(CCCH)(H)	106.9010	0.000	1	106.9010	0.000	1	108.0918	2.462	5	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	O(CCCH)(H)	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	O(CCCH)(H)	109.6330	0.000	1	109.6330	0.000	1	108.0918	2.462	5	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[6a]HH)(CCHO)(OH)(H)	C(N[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CN[6a]HH)(CCHO)(OH)(H)	C(N[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	110.7080	0.314	2	110.7080	0.099	2	109.7180	2.990	3	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[6a]HH)(CC[6]HH)(OH)(H)	C(N[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	C(CN[6a]HH)(CC[6]HH)(OH)(H)	C(N[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(H)	107.7380	0.000	1	107.7380	0.000	1	109.7180	2.990	3	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:H-1:	C(CBrCH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	C(CBrCH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	111.4860	0.000	1	111.4860	0.000	1	109.2822	3.931	17	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	C(CCCH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	108.6432	1.993	4	108.6432	3.971	4	109.2822	3.931	17	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:H-1:	C(CCl3)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	C(CCl3)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	110.2420	3.545	2	110.2420	12.570	2	109.2822	3.931	17	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:H-1:	C(CClHH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	C(CClHH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	107.8350	0.000	1	107.8350	0.000	1	109.2822	3.931	17	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:H-1:	C(CFFH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	C(CFFH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	108.4160	0.058	2	108.4160	0.003	2	109.2822	3.931	17	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:H-1:	C(CFHH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	C(CFHH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	109.4010	2.834	2	109.4010	8.032	2	109.2822	3.931	17	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHS)(CF3)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	C(CHHS)(CF3)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	O(CCCH)(H)	110.3377	2.546	3	110.3377	6.480	3	109.2822	3.931	17	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:H-1:	C(CHHS)2(OH)(H)	C(SC[6a]Pd)(CCHO)(H)2	O(CCCH)(H)	C(CHHS)2(OH)(H)	C(SC[6a]Pd)(CCHO)(H)2	O(CCCH)(H)	108.3860	0.720	2	108.3860	0.518	2	109.2822	3.931	17	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	C-4:H-1:	C(CSeHH)2(OH)(H)	C(SeC[6a]Pd)(CCHO)(H)2	O(CCCH)(H)	C(CSeHH)2(OH)(H)	C(SeC[6a]Pd)(CCHO)(H)2	O(CCCH)(H)	105.8445	0.911	2	105.8445	0.831	2	107.2912	2.605	10	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	C-4:H-1:	C(CSeHH)2(OH)(H)	C(SeFe2)(CCHO)(H)2	O(CCCH)(H)	C(CSeHH)2(OH)(H)	C(SeFe2)(CCHO)(H)2	O(CCCH)(H)	107.6529	1.576	8	107.6529	2.484	8	107.2912	2.605	10	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[3]C[3]O[3]H)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[3]HO)(H)2	O(CC[3]CH)(H)	C(C[3]C[3]O[3]H)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[3]HO)(H)2	O(CC[3]CH)(H)	107.0930	0.000	1	107.0930	0.000	1	107.0930	0.000	1	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	O(CC[5]CH)(H)	112.4420	0.000	1	112.4420	0.000	1	109.2210	10.440	3	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	O(CC[5]CH)(H)	107.6105	2.306	2	107.6105	5.317	2	109.2210	10.440	3	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a,6a]C[5a])(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a,6a]C[5a])(CC[5]HO)(H)2	O(CC[5]CH)(H)	112.5810	0.751	2	112.5810	0.564	2	112.5030	0.300	3	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a]N[5a])(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a]N[5a])(CC[5]HO)(H)2	O(CC[5]CH)(H)	112.3470	0.000	1	112.3470	0.000	1	112.5030	0.300	3	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(Cl)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(Cl)(H)	O(CC[6]CH)(H)	107.7410	0.000	1	107.7410	0.000	1	107.7410	0.000	1	109.4686	5.228	154	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-3:C-4:Br-1:H-1:	C-4:C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CC[6a]O)(CCHO)(Br)(H)	O(CCCH)(CCHH)	C(CBrCH)(CCHH)(OC)(H)	C(CC[6a]O)(CCHO)(Br)(H)	O(CCCH)(CCHH)	102.5300	0.000	1	102.5300	0.000	1	102.5300	0.000	1	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CCHN)(OC)(H)	C(CN[5]O)(CCHO)(H)2	O(CCCH)(CH3)	C(CCHH)(CCHN)(OC)(H)	C(CN[5]O)(CCHO)(H)2	O(CCCH)(CH3)	104.8640	0.000	1	104.8640	0.000	1	104.8640	0.000	1	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:Cl-1:H-1:	P-4:C-4:	C(CC[6a]ClH)(CCHH)(OP)(H)	C(C[6a]C[6a]2)(CCHO)(Cl)(H)	O(PC[6a]2O)(CCCH)	C(CC[6a]ClH)(CCHH)(OP)(H)	C(C[6a]C[6a]2)(CCHO)(Cl)(H)	O(PC[6a]2O)(CCCH)	104.2770	0.000	1	104.2770	0.000	1	104.2770	0.000	1	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CC[5a]CH)(CCCH)	C(CC[6a]HH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CC[5a]CH)(CCCH)	106.1710	0.000	1	106.1710	0.000	1	107.2990	11.211	4	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CH3)	C(CC[6a]HH)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CH3)	105.3685	0.132	2	105.3685	0.017	2	107.2990	11.211	4	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(CN[5]HH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CH3)	C(CC[6a]HH)(CN[5]HH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(CCCH)(CH3)	112.2880	0.000	1	112.2880	0.000	1	107.2990	11.211	4	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	Si-4:C-4:	C(CC[6a]HH)(CCHO)(OSi)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(SiSi3)(CCCH)	C(CC[6a]HH)(CCHO)(OSi)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	O(SiSi3)(CCCH)	109.6610	0.000	1	109.6610	0.000	1	109.6610	0.000	1	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:Si-4:	C(CCHO)(CHHN)(OSi)(H)	C(NC[6a]H)(CCHO)(H)2	O(CCCH)(SiC3)	C(CCHO)(CHHN)(OSi)(H)	C(NC[6a]H)(CCHO)(H)2	O(CCCH)(SiC3)	106.8180	0.000	1	106.8180	0.000	1	106.8180	0.000	1	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:B-4:	C(CN[5]HH)(CC3)(OB)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(BC3)	C(CN[5]HH)(CC3)(OB)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(BC3)	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(CN[5]HH)(OC)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(CH3)	C(CC[6a]HH)(CN[5]HH)(OC)(H)	C(N[5]C[5]2)(CCHO)(H)2	O(CCCH)(CH3)	106.3730	0.000	1	106.3730	0.000	1	106.3730	0.000	1	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5a]HH)(CH3)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	O(CCCH)(CHHP)	C(CN[5a]HH)(CH3)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	O(CCCH)(CHHP)	105.9835	0.098	2	105.9835	0.010	2	105.9835	0.010	2	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	P-3:C-4:H-1:H-1:	C-4:C-4:	C(CCHO)(CHHP)(OC)(H)	C(PC[6a]2)(CCHO)(H)2	O(CC[6a]HH)(CCCH)	C(CCHO)(CHHP)(OC)(H)	C(PC[6a]2)(CCHO)(H)2	O(CC[6a]HH)(CCCH)	108.4465	2.603	2	108.4465	6.775	2	108.4465	6.775	2	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	Si-4:C-4:	C(CBrCH)(CHHS)(OSi)(H)	C(SC[6a]O)(CCHO)(H)2	O(SiC[6a]2C)(CCCH)	C(CBrCH)(CHHS)(OSi)(H)	C(SC[6a]O)(CCHO)(H)2	O(SiC[6a]2C)(CCCH)	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	P-4:C-4:	C(CBrHH)(CSeHH)(OP)(H)	C(SeFe2)(CCHO)(H)2	O(PC[6a]2Fe)(CCCH)	C(CBrHH)(CSeHH)(OP)(H)	C(SeFe2)(CCHO)(H)2	O(PC[6a]2Fe)(CCCH)	111.7900	0.000	1	111.7900	0.000	1	112.5146	1.396	5	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	P-4:C-4:	C(CSeHH)2(OP)(H)	C(SeFe2)(CCHO)(H)2	O(PC[6a]2Fe)(CCCH)	C(CSeHH)2(OP)(H)	C(SeFe2)(CCHO)(H)2	O(PC[6a]2Fe)(CCCH)	112.7015	1.606	2	112.7015	2.579	2	112.5146	1.396	5	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	P-4:C-4:	C(CSeHH)2(OP)(H)	C(SeFe2)(CCHO)(H)2	O(PC[6a]ClFe)(CCCH)	C(CSeHH)2(OP)(H)	C(SeFe2)(CCHO)(H)2	O(PC[6a]ClFe)(CCCH)	112.6900	1.533	2	112.6900	2.350	2	112.5146	1.396	5	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(C[5]C[5,5]C[5]O)(CC[6a]HH)(OC)(H)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	O(CC[5]CH)(CH3)	C(C[5]C[5,5]C[5]O)(CC[6a]HH)(OC)(H)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	O(CC[5]CH)(CH3)	110.1530	2.059	2	110.1530	4.240	2	108.0795	7.152	4	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(C[5]C[5]2Mn)(CC[6a]HH)(OC)(H)	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	O(CC[5]CH)(CCHH)	C(C[5]C[5]2Mn)(CC[6a]HH)(OC)(H)	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	O(CC[5]CH)(CCHH)	106.0060	0.141	2	106.0060	0.020	2	108.0795	7.152	4	108.1596	10.100	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHO)(OH)(H)	C(CC[6a]O)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	C(CC[6a]O)(CCHO)(OH)(H)	O(CCCH)(H)	106.9550	0.000	1	106.9550	0.000	1	106.9550	0.000	1	108.2356	4.948	21	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]N[5]2)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]N[5]2)(CCHO)(OH)(H)	O(CCCH)(H)	106.9970	0.000	1	106.9970	0.000	1	106.9970	0.000	1	108.2356	4.948	21	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[5a]HO)(CCHO)(OH)(H)	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[5a]HO)(CCHO)(OH)(H)	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	O(CCCH)(H)	104.8660	0.000	1	104.8660	0.000	1	104.8660	0.000	1	108.2356	4.948	21	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:H-1:	C(CC[6a]CH)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CN)(H)	O(CCCH)(H)	C(CC[6a]CH)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CN)(H)	O(CCCH)(H)	110.8320	0.000	1	110.8320	0.000	1	110.8320	0.000	1	108.2356	4.948	21	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(H)	107.6990	1.137	2	107.6990	1.293	2	108.5347	5.319	14	108.2356	4.948	21	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CCCH)(H)	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CCCH)(H)	104.8405	0.494	2	104.8405	0.244	2	108.5347	5.319	14	108.2356	4.948	21	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	O(CCCH)(H)	C(CC[6a]HO)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	O(CCCH)(H)	112.4410	0.000	1	112.4410	0.000	1	108.5347	5.319	14	108.2356	4.948	21	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[6a]HO)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(H)	109.0345	1.319	2	109.0345	1.739	2	108.5347	5.319	14	108.2356	4.948	21	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(CCHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[6a]HO)(CCHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(H)	109.3140	0.000	1	109.3140	0.000	1	108.5347	5.319	14	108.2356	4.948	21	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(CClHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CCCH)(H)	C(CC[6a]HO)(CClHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CCCH)(H)	111.3885	0.808	2	111.3885	0.653	2	108.5347	5.319	14	108.2356	4.948	21	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CCCH)(H)	C(CC[6a]HO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	O(CCCH)(H)	107.5875	1.402	2	107.5875	1.966	2	108.5347	5.319	14	108.2356	4.948	21	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[6a]HO)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	O(CCCH)(H)	108.3155	0.111	2	108.3155	0.012	2	108.5347	5.319	14	108.2356	4.948	21	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(H)	106.3540	0.000	1	106.3540	0.000	1	106.3540	0.000	1	108.2356	4.948	21	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(H)	110.0060	0.000	1	110.0060	0.000	1	108.7285	3.264	2	108.2356	4.948	21	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	O(CC[6]CH)(H)	107.4510	0.000	1	107.4510	0.000	1	108.7285	3.264	2	108.2356	4.948	21	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	N[6a]-3:C-4:S-2:H-1:	C-4:Si-4:	C(CN[6a]HS)(CCCH)(OSi)(H)	C(N[6a]C[6a]2)(CCHO)(SC)(H)	O(CCCH)(SiC3)	C(CN[6a]HS)(CCCH)(OSi)(H)	C(N[6a]C[6a]2)(CCHO)(SC)(H)	O(CCCH)(SiC3)	107.4830	0.000	1	107.4830	0.000	1	107.4830	0.000	1	109.0797	2.195	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:2:1:	4:4:	C-4:P-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:	C(CC[6a]HO)(PO3)(OC)(H)	C(C[6a]C[6a]2)(CHOP)(OH)(H)	O(CC[6a]HH)(CCHP)	C(CC[6a]HO)(PO3)(OC)(H)	C(C[6a]C[6a]2)(CHOP)(OH)(H)	O(CC[6a]HH)(CCHP)	109.8780	0.752	2	109.8780	0.566	2	109.8780	0.566	2	109.0797	2.195	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	B[5]-3:C-4:C-3:H-1:	C-4:H-1:	C(CB[5]CH)(CCCH)(OH)(H)	C(B[5]O[5]2)(CCHO)(CCH)(H)	O(CCCH)(H)	C(CB[5]CH)(CCCH)(OH)(H)	C(B[5]O[5]2)(CCHO)(CCH)(H)	O(CCCH)(H)	110.6290	0.000	1	110.6290	0.000	1	110.6290	0.000	1	109.8600	4.728	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CH3)(OH)(H)	C(CN[5]O)(CCHO)(CCH)(H)	O(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CN[5]O)(CCHO)(CCH)(H)	O(CCCH)(H)	110.8255	1.661	2	110.8255	2.759	2	110.8255	2.759	2	109.8600	4.728	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CN[5]O)(CCHO)(NCH)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CN[5]O)(CCHO)(NCH)(H)	O(CCCH)(H)	111.9270	0.596	4	111.9270	0.355	4	111.9270	0.355	4	109.8600	4.728	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(CC[6a]CH)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	O(CCCH)(H)	C(CC[6a]CH)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	O(CCCH)(H)	109.4120	0.000	1	109.4120	0.000	1	109.7710	1.638	3	109.8600	4.728	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	O(CCCH)(H)	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	O(CCCH)(H)	109.9505	1.756	2	109.9505	3.083	2	109.7710	1.638	3	109.8600	4.728	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(CC[6a]HN)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	O(CCCH)(H)	C(CC[6a]HN)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	O(CCCH)(H)	114.3885	0.117	2	114.3885	0.014	2	109.7518	6.730	11	109.8600	4.728	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(CC[6a]HN)(CCCF)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	O(CCCH)(H)	C(CC[6a]HN)(CCCF)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	O(CCCH)(H)	109.7990	0.000	2	109.7990	0.000	2	109.7518	6.730	11	109.8600	4.728	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(CC[6a]HN)(CCCO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	O(CCCH)(H)	C(CC[6a]HN)(CCCO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	O(CCCH)(H)	107.8270	0.000	1	107.8270	0.000	1	109.7518	6.730	11	109.8600	4.728	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(CC[6a]HN)(CCFH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	O(CCCH)(H)	C(CC[6a]HN)(CCFH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	O(CCCH)(H)	109.4850	0.000	1	109.4850	0.000	1	109.7518	6.730	11	109.8600	4.728	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(CC[6a]HN)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	O(CCCH)(H)	C(CC[6a]HN)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	O(CCCH)(H)	108.3166	1.598	5	108.3166	2.553	5	109.7518	6.730	11	109.8600	4.728	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	N-3:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCHN)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	O(CCCH)(H)	C(CCCH)(CCHN)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	O(CCCH)(H)	108.2780	0.000	1	108.2780	0.000	1	108.7835	0.511	2	109.8600	4.728	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	N-3:C-4:C-3:H-1:	C-4:H-1:	C(CCHN)(CH3)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	O(CCCH)(H)	C(CCHN)(CH3)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	O(CCCH)(H)	109.2890	0.000	1	109.2890	0.000	1	108.7835	0.511	2	109.8600	4.728	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:	C(CC[6a]HH)(CN[5]CH)(OH)(H)	C(N[5]C[5]2)(CCHO)(CCH)(H)	O(CCCH)(H)	C(CC[6a]HH)(CN[5]CH)(OH)(H)	C(N[5]C[5]2)(CCHO)(CCH)(H)	O(CCCH)(H)	108.0395	0.487	2	108.0395	0.237	2	108.0205	4.152	4	109.8600	4.728	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:	C(CN[5]CH)(CH3)(OH)(H)	C(N[5]C[5]2)(CCHO)(COO)(H)	O(CCCH)(H)	C(CN[5]CH)(CH3)(OH)(H)	C(N[5]C[5]2)(CCHO)(COO)(H)	O(CCCH)(H)	108.0015	3.495	2	108.0015	12.217	2	108.0205	4.152	4	109.8600	4.728	27	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-3:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(CH3)(OC)(H)	C(CN[5]O)(CCHO)(NCH)(H)	O(CC[6a]HH)(CCCH)	C(CCHN)(CH3)(OC)(H)	C(CN[5]O)(CCHO)(NCH)(H)	O(CC[6a]HH)(CCCH)	104.6120	0.000	1	104.6120	0.000	1	104.6120	0.000	1	109.5441	17.053	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-3:C-4:N-3:H-1:	C-4:P-4:	C(CCHN)(CH3)(OP)(H)	C(CN[5]O)(CCHO)(NCH)(H)	O(CCCH)(PO3)	C(CCHN)(CH3)(OP)(H)	C(CN[5]O)(CCHO)(NCH)(H)	O(CCCH)(PO3)	104.9210	0.000	1	104.9210	0.000	1	104.9210	0.000	1	109.5441	17.053	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:	C(CC[6a]HN)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	O(CC[6a]HH)(CCCH)	C(CC[6a]HN)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	O(CC[6a]HH)(CCCH)	107.5580	4.465	2	107.5580	19.933	2	107.5580	19.933	2	109.5441	17.053	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:S-3:H-1:	P-4:C-4:	C(CC[6a]HS)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(CCHO)(SPdC)(H)	O(PC[6a]2Pd)(CCCH)	C(CC[6a]HS)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(CCHO)(SPdC)(H)	O(PC[6a]2Pd)(CCCH)	112.9260	0.182	4	112.9260	0.033	4	112.9260	0.033	4	109.5441	17.053	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:2:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C(CC[6a]CO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CNO)(OH)	O(CCCH)(H)	C(CC[6a]CO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CNO)(OH)	O(CCCH)(H)	110.6820	0.000	1	110.6820	0.000	1	110.2000	4.340	3	110.2000	4.340	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:3:2:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C(CC[6a]CO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	O(CCCH)(H)	C(CC[6a]CO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	O(CCCH)(H)	109.9590	2.886	2	109.9590	8.331	2	110.2000	4.340	3	110.2000	4.340	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CC[5]O)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CC[5]O)(CCHO)(CH3)(H)	O(CCCH)(H)	105.0860	0.000	1	105.0860	0.000	1	107.6656	7.021	11	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	O(CCCH)(H)	111.7860	0.000	1	111.7860	0.000	1	107.6656	7.021	11	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CHHO)(OH)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	O(CCCH)(H)	C(CCCH)(CHHO)(OH)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	O(CCCH)(H)	105.3210	0.000	1	105.3210	0.000	1	107.6656	7.021	11	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CHHO)(OH)(H)	C(CN[5]O)(CCHH)(CCHO)(H)	O(CCCH)(H)	C(CCCH)(CHHO)(OH)(H)	C(CN[5]O)(CCHH)(CCHO)(H)	O(CCCH)(H)	105.1455	0.090	2	105.1455	0.008	2	107.6656	7.021	11	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	O(CCCH)(H)	108.7680	2.593	3	108.7680	6.724	3	107.6656	7.021	11	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CHHN)(H)	O(CCCH)(H)	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CHHN)(H)	O(CCCH)(H)	109.5940	0.000	1	109.5940	0.000	1	107.6656	7.021	11	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)2(OH)(H)	C(CN[6]O)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)2(OH)(H)	C(CN[6]O)(CCHO)(CH3)(H)	O(CCCH)(H)	107.9700	2.715	2	107.9700	7.373	2	107.6656	7.021	11	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2)(CCHO)(CH3)(H)	O(CCCH)(H)	112.6370	0.075	2	112.6370	0.006	2	112.6370	0.006	2	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[5a]CH)(CCHO)(OH)(H)	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	O(CCCH)(H)	C(CC[5a]CH)(CCHO)(OH)(H)	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	O(CCCH)(H)	111.1610	0.000	1	111.1610	0.000	1	111.1610	0.000	1	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6]CH)(CCHH)(OH)(H)	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[6]CH)(CCHH)(OH)(H)	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	O(CCCH)(H)	109.6960	0.000	1	109.6960	0.000	1	110.0540	0.256	2	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6]CH)(CH3)(OH)(H)	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[6]CH)(CH3)(OH)(H)	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	O(CCCH)(H)	110.4120	0.000	1	110.4120	0.000	1	110.0540	0.256	2	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	O(CCCH)(H)	C(CC[6a]CH)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	O(CCCH)(H)	111.4400	0.000	1	111.4400	0.000	1	109.5368	1.482	6	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(CC[5]CH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[6a]CH)(CC[5]CH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	O(CCCH)(H)	108.7080	0.000	1	108.7080	0.000	1	109.5368	1.482	6	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(CC[5]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]CH)(CC[5]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	O(CCCH)(H)	110.2360	0.000	1	110.2360	0.000	1	109.5368	1.482	6	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(CF3)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]CH)(CF3)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	O(CCCH)(H)	109.7870	0.000	1	109.7870	0.000	1	109.5368	1.482	6	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(CF3)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[6a]CH)(CF3)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	O(CCCH)(H)	109.0260	0.000	1	109.0260	0.000	1	109.5368	1.482	6	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]CH)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	O(CCCH)(H)	108.0240	0.000	1	108.0240	0.000	1	109.5368	1.482	6	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:H-1:	C(CC[6a]C[6]H)(CH3)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]C[6]H)(CH3)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	O(CCCH)(H)	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:H-1:	C(CC[6a]HP)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]HP)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	O(CCCH)(H)	111.2505	1.570	2	111.2505	2.466	2	111.8827	2.432	3	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:H-1:	C(CC[6a]HP)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]HP)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	O(CCCH)(H)	113.1470	0.000	1	113.1470	0.000	1	111.8827	2.432	3	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	N-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]HO)(CCHN)(OH)(H)	C(NC[6a]H)(CCHH)(CCHO)(H)	O(CCCH)(H)	C(CC[6a]HO)(CCHN)(OH)(H)	C(NC[6a]H)(CCHH)(CCHO)(H)	O(CCCH)(H)	107.3510	0.000	1	107.3510	0.000	1	107.3510	0.000	1	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C-4:P-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(PO3)(OH)(H)	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	O(CCHP)(H)	C(CC[6a]CH)(PO3)(OH)(H)	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	O(CCHP)(H)	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[3]C[3]N[3]H)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	O(CC[3]CH)(H)	C(C[3]C[3]N[3]H)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	O(CC[3]CH)(H)	112.8250	0.000	1	112.8250	0.000	1	112.8250	0.000	1	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	O(CC[5]CH)(H)	108.6462	2.205	4	108.6462	4.863	4	108.6462	4.863	4	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CH3)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CH3)(H)	O(CC[6]CH)(H)	110.2295	1.768	2	110.2295	3.128	2	110.2295	3.128	2	109.3778	5.943	35	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CN[5]O)(CCHO)(CH3)(H)	O(CCCH)(CH3)	C(CCCH)(CCHH)(OC)(H)	C(CN[5]O)(CCHO)(CH3)(H)	O(CCCH)(CH3)	111.2760	0.000	1	111.2760	0.000	1	111.2760	0.000	1	108.7414	3.842	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:Si-4:	C(CCCH)(CHHO)(OSi)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	O(CCCH)(SiC3)	C(CCCH)(CHHO)(OSi)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	O(CCCH)(SiC3)	109.4150	0.000	1	109.4150	0.000	1	107.7410	2.102	3	108.7414	3.842	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:Si-4:	C(CCCH)2(OSi)(H)	C(CN[5]O)(CCHO)(CH3)(H)	O(CCCH)(SiC3)	C(CCCH)2(OSi)(H)	C(CN[5]O)(CCHO)(CH3)(H)	O(CCCH)(SiC3)	106.9040	0.000	2	106.9040	0.000	2	107.7410	2.102	3	108.7414	3.842	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	Si-4:C-4:	C(CC[6a]CH)(CCCH)(OSi)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	O(SiCCO)(CCCH)	C(CC[6a]CH)(CCCH)(OSi)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	O(SiCCO)(CCCH)	108.2230	0.000	1	108.2230	0.000	1	108.2230	0.000	1	108.7414	3.842	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C[6a]-3:P-4:C-4:H-1:	P-4:C-4:	C(CC[6a]HP)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(PC[6a]2Ir)(CCHO)(H)	O(PIrOO)(CCCH)	C(CC[6a]HP)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(PC[6a]2Ir)(CCHO)(H)	O(PIrOO)(CCCH)	112.2680	0.000	1	112.2680	0.000	1	112.2680	0.000	1	108.7414	3.842	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:	C(CN[5]CH)(CH3)(OC)(H)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	O(CC[6a]HH)(CCCH)	C(CN[5]CH)(CH3)(OC)(H)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	O(CC[6a]HH)(CCCH)	106.6800	0.000	1	106.6800	0.000	1	106.6800	0.000	1	108.7414	3.842	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:Si-4:	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CH3)(H)	O(CC[5]CH)(SiSi3)	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CH3)(H)	O(CC[5]CH)(SiSi3)	108.5015	0.186	2	108.5015	0.035	2	108.5015	0.035	2	108.7414	3.842	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:N-2:	C-4:H-1:	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	O(CCCH)(H)	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	O(CCCH)(H)	107.2743	0.536	3	107.2743	0.287	3	107.2743	0.287	3	107.3519	2.033	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	O(CCCH)(H)	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	O(CCCH)(H)	106.0183	0.889	3	106.0183	0.791	3	106.0183	0.791	3	107.3519	2.033	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C[4]-4:C-4:O-2:	C-4:H-1:	C(CC[6a]C[4]O)(CHHN)(OH)(H)	C(C[6a]C[6a]2)(C[4]C[4]2H)(CCHO)(OH)	O(CCCH)(H)	C(CC[6a]C[4]O)(CHHN)(OH)(H)	C(C[6a]C[6a]2)(C[4]C[4]2H)(CCHO)(OH)	O(CCCH)(H)	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	107.3519	2.033	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:2:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:C-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	O(CC[5]CH)(H)	108.3660	1.355	2	108.3660	1.836	2	108.3660	1.836	2	107.3519	2.033	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:4:	4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:C-4:	C-4:H-1:	C(CCHH)(CC3)(OH)(H)	C(CC[5]O)(CCHO)(CH3)2	O(CCCH)(H)	C(CCHH)(CC3)(OH)(H)	C(CC[5]O)(CCHO)(CH3)2	O(CCCH)(H)	111.7255	3.408	2	111.7255	11.611	2	111.7255	11.611	2	109.2523	12.042	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:4:	4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:	C(CC[6a]CC)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	O(CCCH)(H)	C(CC[6a]CC)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	O(CCCH)(H)	106.7790	0.216	2	106.7790	0.047	2	106.7790	0.047	2	109.2523	12.042	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	3:4:4:4:	4:4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:C-4:	C-4:Si-4:	C(CCHH)(CC3)(OSi)(H)	C(CC[6]O)(CCHO)(CH3)2	O(CCCH)(SiC3)	C(CCHH)(CC3)(OSi)(H)	C(CC[6]O)(CCHO)(CH3)2	O(CCCH)(SiC3)	108.9130	0.000	1	108.9130	0.000	1	108.9130	0.000	1	108.9130	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	Ga-3:C-4:	C(CHHN)(CH3)(OGa)(H)	C(CCHO)(H)3	O(GaClO)(CCCH)	C(CHHN)(CH3)(OGa)(H)	C(CCHO)(H)3	O(GaClO)(CCCH)	109.8310	0.030	2	109.8310	0.001	2	109.8310	0.001	2	108.8700	3.707	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[5x3,5x5,20x6]C[5])(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[5x3,5x5,20x6]C[5])(CCCH)	107.9090	2.725	2	107.9090	7.427	2	107.9090	7.427	2	108.8700	3.707	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:Br-1:H-1:H-1:	C-4:H-1:	C(CBrCC)(CBrHH)(OH)(H)	C(CCHO)(Br)(H)2	O(CCCH)(H)	C(CBrCC)(CBrHH)(OH)(H)	C(CCHO)(Br)(H)2	O(CCCH)(H)	111.8620	0.000	1	111.8620	0.000	1	110.3450	1.868	3	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:Br-1:H-1:H-1:	C-4:H-1:	C(CBrHH)(CCCO)(OH)(H)	C(CCHO)(Br)(H)2	O(CCCH)(H)	C(CBrHH)(CCCO)(OH)(H)	C(CCHO)(Br)(H)2	O(CCCH)(H)	109.5865	0.532	2	109.5865	0.284	2	110.3450	1.868	3	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:H-1:	C(CC[5a]HH)(CCl3)(OH)(H)	C(CCHO)(Cl)3	O(CCCH)(H)	C(CC[5a]HH)(CCl3)(OH)(H)	C(CCHO)(Cl)3	O(CCCH)(H)	110.8370	0.000	1	110.8370	0.000	1	109.8265	10.360	4	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:H-1:	C(CC[6a]HH)(CCl3)(OH)(H)	C(CCHO)(Cl)3	O(CCCH)(H)	C(CC[6a]HH)(CCl3)(OH)(H)	C(CCHO)(Cl)3	O(CCCH)(H)	105.1960	0.000	1	105.1960	0.000	1	109.8265	10.360	4	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:H-1:	C(CCl3)(CHHS)(OH)(H)	C(CCHO)(Cl)3	O(CCCH)(H)	C(CCl3)(CHHS)(OH)(H)	C(CCHO)(Cl)3	O(CCCH)(H)	111.6365	1.438	2	111.6365	2.067	2	109.8265	10.360	4	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCl2H)(OH)(H)	C(CCHO)(Cl)2(H)	O(CCCH)(H)	C(CC[6a]HH)(CCl2H)(OH)(H)	C(CCHO)(Cl)2(H)	O(CCCH)(H)	107.7490	0.000	1	107.7490	0.000	1	107.7490	0.000	1	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	C(CC[5]HH)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	112.8420	0.000	1	112.8420	0.000	1	109.4833	4.046	22	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:H-1:	C(CC[6a]HO)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	C(CC[6a]HO)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	107.5985	3.289	2	107.5985	10.816	2	109.4833	4.046	22	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:H-1:	C(CClHH)(CH3)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	C(CClHH)(CH3)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	109.6630	0.000	1	109.6630	0.000	1	109.4833	4.046	22	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:H-1:	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	109.0020	2.155	2	109.0020	4.645	2	109.4833	4.046	22	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:H-1:	C(CClHH)(CHHS)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	C(CClHH)(CHHS)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	111.7760	0.000	1	111.7760	0.000	1	109.4833	4.046	22	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	C(CN[5]HH)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	108.3080	0.000	1	108.3080	0.000	1	109.4833	4.046	22	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	C(CN[5a]HH)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(H)	109.4887	1.839	14	109.4887	3.383	14	109.4833	4.046	22	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CCHH)(CF3)(OH)(H)	C(CCHO)(F)3	O(CCCH)(H)	C(CCHH)(CF3)(OH)(H)	C(CCHO)(F)3	O(CCCH)(H)	108.7550	0.244	3	108.7550	0.060	3	108.3608	1.883	56	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CC[6a]CH)(CF3)(OH)(H)	C(CCHO)(F)3	O(CCCH)(H)	C(CC[6a]CH)(CF3)(OH)(H)	C(CCHO)(F)3	O(CCCH)(H)	107.8930	1.155	2	107.8930	1.335	2	108.3608	1.883	56	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CF3)2(OH)(H)	C(CCHO)(F)3	O(CCCH)(H)	C(CF3)2(OH)(H)	C(CCHO)(F)3	O(CCCH)(H)	108.3336	1.462	48	108.3336	2.138	48	108.3608	1.883	56	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CHHS)(CF3)(OH)(H)	C(CCHO)(F)3	O(CCCH)(H)	C(CHHS)(CF3)(OH)(H)	C(CCHO)(F)3	O(CCCH)(H)	108.7137	0.407	3	108.7137	0.166	3	108.3608	1.883	56	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:H-1:	C-4:H-1:	C(CFFH)(CHHS)(OH)(H)	C(CCHO)(F)2(H)	O(CCCH)(H)	C(CFFH)(CHHS)(OH)(H)	C(CCHO)(F)2(H)	O(CCCH)(H)	110.8065	1.692	2	110.8065	2.863	2	110.8065	2.863	2	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:F-1:H-1:H-1:	C-4:H-1:	C(CCHO)(CFHH)(OH)(H)	C(CCHO)(F)(H)2	O(CCCH)(H)	C(CCHO)(CFHH)(OH)(H)	C(CCHO)(F)(H)2	O(CCCH)(H)	110.5440	0.000	1	110.5440	0.000	1	110.2413	4.399	3	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:F-1:H-1:H-1:	C-4:H-1:	C(CFHH)(CHHS)(OH)(H)	C(CCHO)(F)(H)2	O(CCCH)(H)	C(CFHH)(CHHS)(OH)(H)	C(CCHO)(F)(H)2	O(CCCH)(H)	110.0900	2.943	2	110.0900	8.661	2	110.2413	4.399	3	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCCH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	108.9239	2.385	13	108.9239	5.687	13	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCCN)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CCCN)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	109.8680	0.000	1	109.8680	0.000	1	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCCO)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CCCO)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	107.6860	0.000	1	107.6860	0.000	1	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CCHH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	109.4047	2.189	44	109.4047	4.791	44	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CCHN)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	109.9744	2.009	47	109.9744	4.036	47	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHO)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	110.0517	2.858	16	110.0517	8.168	16	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCNS)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CCNS)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	112.2670	0.000	1	112.2670	0.000	1	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CC[5]HH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	107.8883	0.221	3	107.8883	0.049	3	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[5a]HH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CC[5a]HH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	110.0499	1.424	8	110.0499	2.029	8	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6]CH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CC[6]CH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	107.2975	0.780	2	107.2975	0.608	2	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CC[6]HH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	110.8860	0.028	2	110.8860	0.001	2	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]CH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CC[6a]CH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	111.0520	0.000	1	111.0520	0.000	1	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]CO)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CC[6a]CO)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	110.7103	0.318	3	110.7103	0.101	3	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]C[6]H)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CC[6a]C[6]H)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	109.5600	0.000	1	109.5600	0.000	1	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CC[6a]HH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	110.1927	1.514	9	110.1927	2.291	9	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]HO)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CC[6a]HO)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	109.5875	2.980	2	109.5875	8.883	2	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]N[5]H)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CC[6a]N[5]H)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	110.4800	0.000	1	110.4800	0.000	1	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CClHH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CClHH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	110.3140	0.000	1	110.3140	0.000	1	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)2(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CH3)2(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	109.9264	3.842	263	109.9264	14.765	263	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CHHN)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CHHN)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	110.9084	1.781	14	110.9084	3.171	14	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CHHO)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CHHO)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	110.2915	0.204	2	110.2915	0.042	2	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CHHS)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CHHS)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	111.3936	0.746	12	111.3936	0.556	12	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CN[5]CH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CN[5]CH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	112.0350	0.168	2	112.0350	0.028	2	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CN[5]HH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	108.3440	0.000	1	108.3440	0.000	1	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	C(CN[5a]HH)(CH3)(OH)(H)	C(CCHO)(H)3	O(CCCH)(H)	112.5993	0.415	6	112.5993	0.172	6	109.9623	10.337	456	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:O-1:	C-4:H-1:	C(CHHO)2(OH)(H)	C(CCHO)(H)2(O)	O(CCCH)(H)	C(CHHO)2(OH)(H)	C(CCHO)(H)2(O)	O(CCCH)(H)	108.5860	0.000	1	108.5860	0.000	1	108.5860	0.000	1	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:O-2:O-1:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CF3)2(OH)(O)	C(CCOO)(F)3	O(CCCO)(H)	C(CF3)2(OH)(O)	C(CCOO)(F)3	O(CCCO)(H)	104.9705	1.684	2	104.9705	2.835	2	104.9705	2.835	2	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[3,5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[3,5]C[3,5]C[5,6]O[3])(CH3)(OH)(H)	C(CC[3,5]HO)(H)3	O(CC[3,5]CH)(H)	C(C[3,5]C[3,5]C[5,6]O[3])(CH3)(OH)(H)	C(CC[3,5]HO)(H)3	O(CC[3,5]CH)(H)	112.0420	0.000	1	112.0420	0.000	1	112.0420	0.000	1	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[3]C[3]2H)(CH3)(OH)(H)	C(CC[3]HO)(H)3	O(CC[3]CH)(H)	C(C[3]C[3]2H)(CH3)(OH)(H)	C(CC[3]HO)(H)3	O(CC[3]CH)(H)	106.2440	0.000	1	106.2440	0.000	1	106.2950	0.005	2	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[3]C[3]N[3]C)(CH3)(OH)(H)	C(CC[3]HO)(H)3	O(CC[3]CH)(H)	C(C[3]C[3]N[3]C)(CH3)(OH)(H)	C(CC[3]HO)(H)3	O(CC[3]CH)(H)	106.3460	0.000	1	106.3460	0.000	1	106.2950	0.005	2	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[4]-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[4]C[4]N[4]H)(CF3)(OH)(H)	C(CC[4]HO)(F)3	O(CC[4]CH)(H)	C(C[4]C[4]N[4]H)(CF3)(OH)(H)	C(CC[4]HO)(F)3	O(CC[4]CH)(H)	107.6958	0.421	4	107.6958	0.177	4	107.6958	0.177	4	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[4]C[4,5]C[4]H)(CH3)(OH)(H)	C(CC[4]HO)(H)3	O(CC[4]CH)(H)	C(C[4]C[4,5]C[4]H)(CH3)(OH)(H)	C(CC[4]HO)(H)3	O(CC[4]CH)(H)	108.7874	1.132	8	108.7874	1.281	8	110.0136	3.192	14	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[4]C[4]2H)(CH3)(OH)(H)	C(CC[4]HO)(H)3	O(CC[4]CH)(H)	C(C[4]C[4]2H)(CH3)(OH)(H)	C(CC[4]HO)(H)3	O(CC[4]CH)(H)	111.6487	0.945	6	111.6487	0.893	6	110.0136	3.192	14	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5,5,6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5,5,6]C[5,5]C[5,6]2)(CH3)(OH)(H)	C(CC[5,5,6]HO)(H)3	O(CC[5,5,6]CH)(H)	C(C[5,5,6]C[5,5]C[5,6]2)(CH3)(OH)(H)	C(CC[5,5,6]HO)(H)3	O(CC[5,5,6]CH)(H)	109.4530	0.206	2	109.4530	0.043	2	109.4530	0.043	2	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5,6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5,6]C[5,6,6]C[6]O[5])(CH3)(OH)(H)	C(CC[5,6]HO)(H)3	O(CC[5,6]CH)(H)	C(C[5,6]C[5,6,6]C[6]O[5])(CH3)(OH)(H)	C(CC[5,6]HO)(H)3	O(CC[5,6]CH)(H)	112.2820	0.000	1	112.2820	0.000	1	109.9225	3.648	4	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5,6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	C(CC[5,6]HO)(H)3	O(CC[5,6]CH)(H)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	C(CC[5,6]HO)(H)3	O(CC[5,6]CH)(H)	109.1360	1.327	3	109.1360	1.761	3	109.9225	3.648	4	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2Fe)(CClHH)(OH)(H)	C(CC[5]HO)(Cl)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2Fe)(CClHH)(OH)(H)	C(CC[5]HO)(Cl)(H)2	O(CC[5]CH)(H)	110.7540	0.000	1	110.7540	0.000	1	110.7540	0.000	1	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	C(CC[5]HO)(F)3	O(CC[5]CH)(H)	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	C(CC[5]HO)(F)3	O(CC[5]CH)(H)	105.6220	0.000	1	105.6220	0.000	1	105.6220	0.000	1	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5]C[5]O)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5,5]C[5]O)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	108.1790	0.000	1	108.1790	0.000	1	108.8901	5.040	49	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5]N[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5,5]N[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	106.1540	0.000	1	106.1540	0.000	1	108.8901	5.040	49	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	111.9005	0.105	2	111.9005	0.011	2	108.8901	5.040	49	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	106.8870	0.000	1	106.8870	0.000	1	108.8901	5.040	49	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	107.9495	1.660	6	107.9495	2.755	6	108.8901	5.040	49	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]O)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5,6]C[5]O)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	110.0970	0.000	1	110.0970	0.000	1	108.8901	5.040	49	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]O[5]C)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5,6]O[5]C)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	109.6370	0.000	1	109.6370	0.000	1	108.8901	5.040	49	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	108.3440	0.000	1	108.3440	0.000	1	108.8901	5.040	49	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	108.7485	3.611	6	108.7485	13.040	6	108.8901	5.040	49	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2Fe)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5]2Fe)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	107.1708	1.326	9	107.1708	1.758	9	108.8901	5.040	49	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	110.3915	1.534	6	110.3915	2.353	6	108.8901	5.040	49	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	110.6500	1.424	6	110.6500	2.029	6	108.8901	5.040	49	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]N[5]O)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5]N[5]O)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	106.9810	0.000	1	106.9810	0.000	1	108.8901	5.040	49	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	109.1328	2.263	6	109.1328	5.120	6	108.8901	5.040	49	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(H)	109.7630	0.000	1	109.7630	0.000	1	108.8901	5.040	49	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:I-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	C(CC[5]HO)(H)2(I)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	C(CC[5]HO)(H)2(I)	O(CC[5]CH)(H)	113.1665	0.029	2	113.1665	0.001	2	113.1665	0.001	2	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[6,6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	C(CC[6,6]HO)(H)3	O(CC[6,6]CH)(H)	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	C(CC[6,6]HO)(H)3	O(CC[6,6]CH)(H)	107.6582	1.982	5	107.6582	3.929	5	107.6703	3.144	6	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[6,6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(H)	C(CC[6,6]HO)(H)3	O(CC[6,6]CH)(H)	C(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(H)	C(CC[6,6]HO)(H)3	O(CC[6,6]CH)(H)	107.7310	0.000	1	107.7310	0.000	1	107.6703	3.144	6	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2C)(CClHH)(OH)(H)	C(CC[6]HO)(Cl)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]2C)(CClHH)(OH)(H)	C(CC[6]HO)(Cl)(H)2	O(CC[6]CH)(H)	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[5,6]O[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	C(C[6]C[5,6]O[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	111.4390	0.000	1	111.4390	0.000	1	109.9241	3.415	22	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	107.7710	1.445	3	107.7710	2.087	3	109.9241	3.415	22	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6,6a]C[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	109.8620	0.000	1	109.8620	0.000	1	109.9241	3.415	22	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2C)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	C(C[6]C[6]2C)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	109.0775	1.305	6	109.0775	1.703	6	109.9241	3.415	22	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2Cr)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	C(C[6]C[6]2Cr)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	106.3300	0.000	1	106.3300	0.000	1	109.9241	3.415	22	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	110.6667	0.391	3	110.6667	0.152	3	109.9241	3.415	22	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2Ru)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	C(C[6]C[6]2Ru)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	111.7347	0.853	6	111.7347	0.727	6	109.9241	3.415	22	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(H)	110.5140	0.000	1	110.5140	0.000	1	109.9241	3.415	22	109.6729	8.597	659	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:Ga-3:	C(CHHN)(CH3)(OGa)(H)	C(CCHO)(H)3	O(CCCH)(GaCO)	C(CHHN)(CH3)(OGa)(H)	C(CCHO)(H)3	O(CCCH)(GaCO)	109.9390	0.132	2	109.9390	0.017	2	109.9390	0.017	2	108.0944	5.971	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:	C(CCHH)(CH3)(ON)(H)	C(CCHO)(H)3	O(CCCH)(NCH)	C(CCHH)(CH3)(ON)(H)	C(CCHO)(H)3	O(CCCH)(NCH)	107.1240	5.603	2	107.1240	31.395	2	107.1240	31.395	2	108.0944	5.971	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-3:	C(CHHN)(CH3)(OP)(H)	C(CCHO)(H)3	O(CCCH)(POO)	C(CHHN)(CH3)(OP)(H)	C(CCHO)(H)3	O(CCCH)(POO)	107.5015	0.428	2	107.5015	0.183	2	107.5015	0.183	2	108.0944	5.971	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:S-3:	C(CCHN)(CH3)(OS)(H)	C(CCHO)(H)3	O(CCCH)(SOO)	C(CCHN)(CH3)(OS)(H)	C(CCHO)(H)3	O(CCCH)(SOO)	107.8130	0.809	2	107.8130	0.654	2	107.8130	0.654	2	108.0944	5.971	8	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:Br-1:H-1:H-1:	P-4:C-4:	C(CBrHH)(CSeHH)(OP)(H)	C(CCHO)(Br)(H)2	O(PC[6a]2Fe)(CCCH)	C(CBrHH)(CSeHH)(OP)(H)	C(CCHO)(Br)(H)2	O(PC[6a]2Fe)(CCCH)	104.9940	0.000	1	104.9940	0.000	1	104.9940	0.000	1	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-4:	C(CClHH)(CHHN)(OC)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(CC3)	C(CClHH)(CHHN)(OC)(H)	C(CCHO)(Cl)(H)2	O(CCCH)(CC3)	112.8750	0.000	1	112.8750	0.000	1	112.8750	0.000	1	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:B-4:	C(CF3)2(OB)(H)	C(CCHO)(F)3	O(CCCH)(BO3)	C(CF3)2(OB)(H)	C(CCHO)(F)3	O(CCCH)(BO3)	109.2473	1.180	8	109.2473	1.392	8	109.2473	1.392	8	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(CF3)2(OC)(H)	C(CCHO)(F)3	O(CCCH)(CCCO)	C(CF3)2(OC)(H)	C(CCHO)(F)3	O(CCCH)(CCCO)	107.6800	0.663	2	107.6800	0.440	2	107.9882	2.888	4	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(CF3)2(OC)(H)	C(CCHO)(F)3	O(CC[6a]CH)(CCCH)	C(CF3)2(OC)(H)	C(CCHO)(F)3	O(CC[6a]CH)(CCCH)	108.2965	2.801	2	108.2965	7.845	2	107.9882	2.888	4	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:P-4:	C(CF3)2(OP)(H)	C(CCHO)(F)3	O(CCCH)(PO3)	C(CF3)2(OP)(H)	C(CCHO)(F)3	O(CCCH)(PO3)	107.1798	0.438	6	107.1798	0.192	6	107.1798	0.192	6	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	P-4:C-4:	C(CF3)2(OP)(H)	C(CCHO)(F)3	O(PC[6a]RhO)(CCCH)	C(CF3)2(OP)(H)	C(CCHO)(F)3	O(PC[6a]RhO)(CCCH)	108.2638	0.807	4	108.2638	0.651	4	107.5898	1.435	33	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	P-4:C-4:	C(CF3)2(OP)(H)	C(CCHO)(F)3	O(PCoOO)(CCCH)	C(CF3)2(OP)(H)	C(CCHO)(F)3	O(PCoOO)(CCCH)	108.0148	1.139	6	108.0148	1.298	6	107.5898	1.435	33	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	P-4:C-4:	C(CF3)2(OP)(H)	C(CCHO)(F)3	O(PIrOO)(CCCH)	C(CF3)2(OP)(H)	C(CCHO)(F)3	O(PIrOO)(CCCH)	107.3496	1.423	11	107.3496	2.025	11	107.5898	1.435	33	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	P-4:C-4:	C(CF3)2(OP)(H)	C(CCHO)(F)3	O(PRhOO)(CCCH)	C(CF3)2(OP)(H)	C(CCHO)(F)3	O(PRhOO)(CCCH)	107.3728	1.092	12	107.3728	1.193	12	107.5898	1.435	33	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:F-1:H-1:H-1:	C-4:C-4:	C(CFHH)(CHHN)(OC)(H)	C(CCHO)(F)(H)2	O(CC[6a]HH)(CCCH)	C(CFHH)(CHHN)(OC)(H)	C(CCHO)(F)(H)2	O(CC[6a]HH)(CCCH)	110.8260	0.000	1	110.8260	0.000	1	110.8260	0.000	1	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:	C(CH3)2(OB)(H)	C(CCHO)(H)3	O(BC[5a]C[6]O)(CCCH)	C(CH3)2(OB)(H)	C(CCHO)(H)3	O(BC[5a]C[6]O)(CCCH)	110.0403	1.853	4	110.0403	3.432	4	110.0403	3.432	4	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCCH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CH3)	C(CCCH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CH3)	105.9950	0.000	1	105.9950	0.000	1	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CF3)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CF3)	109.5385	0.337	2	109.5385	0.114	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)2	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)2	108.6302	3.048	5	108.6302	9.290	5	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[5]CH)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[5]CH)(CCCH)	105.9460	0.000	1	105.9460	0.000	1	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6]CH)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6]CH)(CCCH)	112.5410	1.574	2	112.5410	2.478	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]CH)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]CH)(CCCH)	107.6010	0.000	1	107.6010	0.000	1	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]C[6]H)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]C[6]H)(CCCH)	112.5645	1.156	2	112.5645	1.337	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHN)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]CH)(CCCH)	C(CCHN)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]CH)(CCCH)	107.4625	0.747	2	107.4625	0.559	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHN)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]HH)(CCCH)	C(CCHN)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]HH)(CCCH)	110.3820	3.609	2	110.3820	13.025	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]HH)(CCCH)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]HH)(CCCH)	112.0280	0.540	3	112.0280	0.292	3	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CC[4]HO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]HH)(CCCH)	C(CC[4]HO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]HH)(CCCH)	107.6320	0.000	1	107.6320	0.000	1	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CC[5]BrH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)2	C(CC[5]BrH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)2	108.4710	0.000	1	108.4710	0.000	1	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CH3)	C(CC[6a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CH3)	111.9555	0.643	2	111.9555	0.413	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CC[6a]HN)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]HH)(CCCH)	C(CC[6a]HN)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]HH)(CCCH)	107.8360	3.029	2	107.8360	9.176	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCCO)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CCCO)	108.1430	1.253	2	108.1430	1.570	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CSSW)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)(CSSW)	106.2820	0.817	2	106.2820	0.668	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)2	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CCCH)2	109.5128	3.471	72	109.5128	12.047	72	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[4]CH)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[4]CH)(CCCH)	109.4330	6.078	2	109.4330	36.946	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[6a]2H)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[6a]2H)(CCCH)	108.5940	2.263	2	108.5940	5.120	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[6a]CH)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[6a]CH)(CCCH)	109.1495	4.366	2	109.1495	19.065	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[6a]C[5]H)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[6a]C[5]H)(CCCH)	108.7515	5.032	2	108.7515	25.326	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[6a]HN)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CC[6a]HN)(CCCH)	108.5880	3.725	2	108.5880	13.876	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CDyCO)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CDyCO)(CCCH)	107.4271	1.935	20	107.4271	3.745	20	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CHfNO)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CHfNO)(CCCH)	107.3459	2.161	8	107.3459	4.668	8	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CRhNO)(CCCH)	C(CH3)2(OC)(H)	C(CCHO)(H)3	O(CRhNO)(CCCH)	106.8715	3.072	2	106.8715	9.440	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CHHO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CHHN)	C(CHHO)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CHHN)	105.3570	0.000	1	105.3570	0.000	1	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CN[5]CH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]HH)(CCCH)	C(CN[5]CH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CC[6a]HH)(CCCH)	111.9960	0.000	1	111.9960	0.000	1	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CN[5a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CHHP)	C(CN[5a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	O(CCCH)(CHHP)	111.1790	0.318	2	111.1790	0.101	2	109.0000	9.693	147	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:Ge-4:	C(CH3)2(OGe)(H)	C(CCHO)(H)3	O(CCCH)(GeO3)	C(CH3)2(OGe)(H)	C(CCHO)(H)3	O(CCCH)(GeO3)	107.7555	0.036	2	107.7555	0.001	2	107.7555	0.001	2	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CCHN)(CH3)(OP)(H)	C(CCHO)(H)3	O(CCCH)(PO3)	C(CCHN)(CH3)(OP)(H)	C(CCHO)(H)3	O(CCCH)(PO3)	112.4650	0.197	3	112.4650	0.039	3	107.7575	3.949	379	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(PCHW)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(PCHW)	108.0745	3.218	2	108.0745	10.356	2	107.7575	3.949	379	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(PCOO)	107.7126	1.717	85	107.7126	2.949	85	107.7575	3.949	379	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(PNNS)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(PNNS)	107.9500	2.937	4	107.9500	8.625	4	107.7575	3.949	379	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(PNOO)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(PNOO)	107.7960	1.959	28	107.7960	3.836	28	107.7575	3.949	379	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(PNOS)	107.6065	1.991	202	107.6065	3.965	202	107.7575	3.949	379	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(PO3)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(PO3)	107.4128	0.823	10	107.4128	0.677	10	107.7575	3.949	379	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(POOS)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(POOS)	107.6020	1.753	8	107.6020	3.072	8	107.7575	3.949	379	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(POSS)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(CCCH)(POSS)	108.2616	2.482	32	108.2616	6.161	32	107.7575	3.949	379	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CHHN)(CH3)(OP)(H)	C(CCHO)(H)3	O(CCCH)(PO3)	C(CHHN)(CH3)(OP)(H)	C(CCHO)(H)3	O(CCCH)(PO3)	109.0102	0.398	5	109.0102	0.159	5	107.7575	3.949	379	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:	C(CCCH)(CH3)(OS)(H)	C(CCHO)(H)3	O(CCCH)(SCOO)	C(CCCH)(CH3)(OS)(H)	C(CCHO)(H)3	O(CCCH)(SCOO)	106.2310	0.498	2	106.2310	0.248	2	105.8100	0.363	4	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:	C(CCHH)(CH3)(OS)(H)	C(CCHO)(H)3	O(CCCH)(SO3)	C(CCHH)(CH3)(OS)(H)	C(CCHO)(H)3	O(CCCH)(SO3)	105.3890	0.362	2	105.3890	0.131	2	105.8100	0.363	4	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:Si-4:	C(CCHO)(CH3)(OSi)(H)	C(CCHO)(H)3	O(CCCH)(SiC3)	C(CCHO)(CH3)(OSi)(H)	C(CCHO)(H)3	O(CCCH)(SiC3)	108.7713	0.374	3	108.7713	0.140	3	108.2280	2.715	5	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:Si-4:	C(CH3)2(OSi)(H)	C(CCHO)(H)3	O(CCCH)(SiC3)	C(CH3)2(OSi)(H)	C(CCHO)(H)3	O(CCCH)(SiC3)	107.4130	2.892	2	107.4130	8.364	2	108.2280	2.715	5	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CCHO)(CH3)(OP)(H)	C(CCHO)(H)3	O(PPdNN)(CCCH)	C(CCHO)(CH3)(OP)(H)	C(CCHO)(H)3	O(PPdNN)(CCCH)	105.2365	0.613	2	105.2365	0.376	2	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[5]OO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[5]OO)(CCCH)	108.1852	1.812	16	108.1852	3.283	16	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[5]SS)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[5]SS)(CCCH)	107.1630	0.074	2	107.1630	0.005	2	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[6]OO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[6]OO)(CCCH)	107.8143	0.734	4	107.8143	0.538	4	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[6a]CO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[6a]CO)(CCCH)	107.5710	2.178	2	107.5710	4.743	2	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[6a]OO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[6a]OO)(CCCH)	107.3404	1.733	12	107.3404	3.002	12	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[6a]SS)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[6a]SS)(CCCH)	107.2506	0.689	5	107.2506	0.475	5	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PCoOO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PCoOO)(CCCH)	107.7766	1.357	12	107.7766	1.841	12	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PFeOO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PFeOO)(CCCH)	107.4548	0.944	12	107.4548	0.890	12	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PFeSeO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PFeSeO)(CCCH)	107.5939	1.932	60	107.5939	3.734	60	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PMoCO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PMoCO)(CCCH)	107.3972	1.048	8	107.3972	1.098	8	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PN[6]OS)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PN[6]OS)(CCCH)	107.5335	0.579	4	107.5335	0.335	4	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PNiOO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PNiOO)(CCCH)	108.1202	1.952	6	108.1202	3.812	6	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PPdOO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PPdOO)(CCCH)	107.2433	1.011	6	107.2433	1.022	6	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PPtOO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PPtOO)(CCCH)	107.5412	1.190	12	107.5412	1.415	12	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PRuOO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PRuOO)(CCCH)	107.6399	1.522	72	107.6399	2.317	72	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PSe2O)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PSe2O)(CCCH)	107.3599	1.774	20	107.3599	3.146	20	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CSeHH)(CH3)(OP)(H)	C(CCHO)(H)3	O(PC[6a]SeO)(CCCH)	C(CSeHH)(CH3)(OP)(H)	C(CCHO)(H)3	O(PC[6a]SeO)(CCCH)	106.5815	2.115	2	106.5815	4.473	2	107.5772	2.514	257	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:	C(CCHH)(CH3)(OS)(H)	C(CCHO)(H)3	O(SC[6a]OO)(CCCH)	C(CCHH)(CH3)(OS)(H)	C(CCHO)(H)3	O(SC[6a]OO)(CCCH)	108.8510	0.000	1	108.8510	0.000	1	108.7764	1.168	5	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:	C(CClCH)(CH3)(OS)(H)	C(CCHO)(H)3	O(SC[6a]OO)(CCCH)	C(CClCH)(CH3)(OS)(H)	C(CCHO)(H)3	O(SC[6a]OO)(CCCH)	108.7578	1.247	4	108.7578	1.556	4	108.7764	1.168	5	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CCHH)(CH3)(OSi)(H)	C(CCHO)(H)3	O(SiC[6a]3)(CCCH)	C(CCHH)(CH3)(OSi)(H)	C(CCHO)(H)3	O(SiC[6a]3)(CCCH)	109.4435	0.005	2	109.4435	0.000	2	110.0614	9.271	14	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CH3)2(OSi)(H)	C(CCHO)(H)3	O(SiOOS)(CCCH)	C(CH3)2(OSi)(H)	C(CCHO)(H)3	O(SiOOS)(CCCH)	108.5367	1.349	7	108.5367	1.820	7	110.0614	9.271	14	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CHHN)(CH3)(OSi)(H)	C(CCHO)(H)3	O(SiCOO)(CCCH)	C(CHHN)(CH3)(OSi)(H)	C(CCHO)(H)3	O(SiCOO)(CCCH)	112.4432	4.006	5	112.4432	16.052	5	110.0614	9.271	14	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:O-1:	C-4:C-4:	C(CHHO)2(OC)(H)	C(CCHO)(H)2(O)	O(CN[5a]HH)(CCCH)	C(CHHO)2(OC)(H)	C(CCHO)(H)2(O)	O(CN[5a]HH)(CCCH)	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[3]C[3]2H)(CH3)(OC)(H)	C(CC[3]HO)(H)3	O(CC[6a]HH)(CC[3]CH)	C(C[3]C[3]2H)(CH3)(OC)(H)	C(CC[3]HO)(H)3	O(CC[6a]HH)(CC[3]CH)	112.3910	0.000	1	112.3910	0.000	1	112.3910	0.000	1	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:S-4:	C(C[3]C[3]O[3]H)(CH3)(OS)(H)	C(CC[3]HO)(H)3	O(CC[3]CH)(SCOO)	C(C[3]C[3]O[3]H)(CH3)(OS)(H)	C(CC[3]HO)(H)3	O(CC[3]CH)(SCOO)	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:	C(C[3]C[3]N[3]H)(CH3)(OS)(H)	C(CC[3]HO)(H)3	O(SC[6a]OO)(CC[3]CH)	C(C[3]C[3]N[3]H)(CH3)(OS)(H)	C(CC[3]HO)(H)3	O(SC[6a]OO)(CC[3]CH)	109.4835	0.168	2	109.4835	0.028	2	109.4835	0.028	2	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[3x6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[3x6]C[6,6,6a]2C[3x6])(CH3)(OC)(H)	C(CC[3x6]HO)(H)3	O(CC[3x6]CH)(CH3)	C(C[3x6]C[6,6,6a]2C[3x6])(CH3)(OC)(H)	C(CC[3x6]HO)(H)3	O(CC[3x6]CH)(CH3)	111.3740	0.660	2	111.3740	0.436	2	110.7274	0.525	8	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[3x6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C(CC[3x6]HO)(H)3	O(CC[3x6]CH)(CH3)	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C(CC[3x6]HO)(H)3	O(CC[3x6]CH)(CH3)	110.5118	0.652	6	110.5118	0.425	6	110.7274	0.525	8	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:Si-4:	C(C[4]C[4,6]C[4]H)(CH3)(OSi)(H)	C(CC[4]HO)(H)3	O(CC[4]CH)(SiC3)	C(C[4]C[4,6]C[4]H)(CH3)(OSi)(H)	C(CC[4]HO)(H)3	O(CC[4]CH)(SiC3)	109.7450	0.000	1	109.7450	0.000	1	110.7310	1.944	2	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:Si-4:	C(C[4]C[4]2H)(CH3)(OSi)(H)	C(CC[4]HO)(H)3	O(CC[4]CH)(SiC3)	C(C[4]C[4]2H)(CH3)(OSi)(H)	C(CC[4]HO)(H)3	O(CC[4]CH)(SiC3)	111.7170	0.000	1	111.7170	0.000	1	110.7310	1.944	2	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[5]C[5]2Fe)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CCHH)	C(C[5]C[5]2Fe)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CCHH)	110.1370	0.000	1	110.1370	0.000	1	109.6013	2.700	6	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[5]C[5]2Fe)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CH3)	C(C[5]C[5]2Fe)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CH3)	111.2880	0.000	1	111.2880	0.000	1	109.6013	2.700	6	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[5]C[5]2H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CCCH)	C(C[5]C[5]2H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CCCH)	107.5390	0.223	2	107.5390	0.050	2	109.6013	2.700	6	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[5]C[5]2H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[6a]HH)(CC[5]CH)	C(C[5]C[5]2H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[6a]HH)(CC[5]CH)	110.5410	0.000	1	110.5410	0.000	1	109.6013	2.700	6	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[5]C[5]2O)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CH3)	C(C[5]C[5]2O)(CH3)(OC)(H)	C(CC[5]HO)(H)3	O(CC[5]CH)(CH3)	110.5640	0.000	1	110.5640	0.000	1	109.6013	2.700	6	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(C[5]C[5]2H)(CH3)(OSi)(H)	C(CC[5]HO)(H)3	O(SiC[6a]2C)(CC[5]CH)	C(C[5]C[5]2H)(CH3)(OSi)(H)	C(CC[5]HO)(H)3	O(SiC[6a]2C)(CC[5]CH)	111.3630	0.000	1	111.3630	0.000	1	111.3630	0.000	1	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6]C[6]2Cr)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CH3)	C(C[6]C[6]2Cr)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CH3)	108.4628	2.769	6	108.4628	7.668	6	109.3081	6.475	9	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6]C[6]2Ru)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CH3)	C(C[6]C[6]2Ru)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6]CH)(CH3)	111.2490	0.472	2	111.2490	0.223	2	109.3081	6.475	9	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6a]HH)(CC[6]CH)	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	C(CC[6]HO)(H)3	O(CC[6a]HH)(CC[6]CH)	110.4980	0.000	1	110.4980	0.000	1	109.3081	6.475	9	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	C(CC[6]HO)(H)3	O(SC[6a]OO)(CC[6]CH)	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	C(CC[6]HO)(H)3	O(SC[6a]OO)(CC[6]CH)	106.1420	0.000	1	106.1420	0.000	1	106.1420	0.000	1	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(C[6]C[6]2H)(CH3)(OSi)(H)	C(CC[6]HO)(H)3	O(SiC[6a]2C)(CC[6]CH)	C(C[6]C[6]2H)(CH3)(OSi)(H)	C(CC[6]HO)(H)3	O(SiC[6a]2C)(CC[6]CH)	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	4:4:	P-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(PCCH)(CH3)(OC)(H)	C(CHOP)(H)3	O(CCHH)(CCHP)	C(PCCH)(CH3)(OC)(H)	C(CHOP)(H)3	O(CCHH)(CCHP)	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	108.0476	4.864	905	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	5:4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	Nb-5:C-4:	C(CF3)2(ONb)(H)	C(CCHO)(F)3	O(NbN3O)(CCCH)	C(CF3)2(ONb)(H)	C(CCHO)(F)3	O(NbN3O)(CCCH)	109.2477	0.250	4	109.2477	0.063	4	109.2477	0.063	4	107.4395	3.345	105	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	5:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[5]CeOO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[5]CeOO)(CCCH)	107.5384	1.120	16	107.5384	1.253	16	107.3679	3.341	101	107.4395	3.345	105	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	5:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[6a]NiSS)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PC[6a]NiSS)(CCCH)	107.5390	0.417	2	107.5390	0.174	2	107.3679	3.341	101	107.4395	3.345	105	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	5:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PCuOSS)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PCuOSS)(CCCH)	107.4523	1.142	10	107.4523	1.304	10	107.3679	3.341	101	107.4395	3.345	105	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	5:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PDyCOO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PDyCOO)(CCCH)	107.0287	1.370	14	107.0287	1.877	14	107.3679	3.341	101	107.4395	3.345	105	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	5:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PErCOO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PErCOO)(CCCH)	107.4943	2.626	12	107.4943	6.898	12	107.3679	3.341	101	107.4395	3.345	105	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	5:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PLaCOO)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PLaCOO)(CCCH)	107.4674	1.910	12	107.4674	3.648	12	107.3679	3.341	101	107.4395	3.345	105	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	5:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PMo2NN)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PMo2NN)(CCCH)	108.3335	3.748	2	108.3335	14.050	2	107.3679	3.341	101	107.4395	3.345	105	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	5:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PMoN3)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PMoN3)(CCCH)	107.7155	3.351	2	107.7155	11.229	2	107.3679	3.341	101	107.4395	3.345	105	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	5:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PNiOSS)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PNiOSS)(CCCH)	106.7908	1.119	4	106.7908	1.252	4	107.3679	3.341	101	107.4395	3.345	105	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	5:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(POSSW)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(POSSW)(CCCH)	107.1251	2.890	15	107.1251	8.353	15	107.3679	3.341	101	107.4395	3.345	105	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	5:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PRuOSS)(CCCH)	C(CH3)2(OP)(H)	C(CCHO)(H)3	O(PRuOSS)(CCCH)	107.4887	0.955	12	107.4887	0.913	12	107.3679	3.341	101	107.4395	3.345	105	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:1:1:1:	7:4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	Nb-7:C-4:	C(CH3)2(ONb)(H)	C(CCHO)(H)3	O(NbClSnO4)(CCCH)	C(CH3)2(ONb)(H)	C(CCHO)(H)3	O(NbClSnO4)(CCCH)	108.9903	0.529	6	108.9903	0.280	6	108.9903	0.280	6	108.9903	0.280	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-2:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(CN)(H)2	O(CCCH)(H)	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(CN)(H)2	O(CCCH)(H)	110.5743	0.720	7	110.5743	0.519	7	110.5240	0.402	9	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-2:H-1:H-1:	C-4:H-1:	C(CCHH)2(OH)(H)	C(CCHO)(CC)(H)2	O(CCCH)(H)	C(CCHH)2(OH)(H)	C(CCHO)(CC)(H)2	O(CCCH)(H)	110.3480	0.161	2	110.3480	0.026	2	110.5240	0.402	9	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(NC)(H)2	O(CCCH)(H)	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(NC)(H)2	O(CCCH)(H)	108.0260	0.000	1	108.0260	0.000	1	109.5008	3.635	18	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NC)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(CCHO)(NC)(H)2	O(CCCH)(H)	109.4725	2.113	13	109.4725	4.465	13	109.5008	3.635	18	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NPt)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(CCHO)(NPt)(H)2	O(CCCH)(H)	110.1460	0.330	2	110.1460	0.109	2	109.5008	3.635	18	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CHHN)(OH)(H)	C(CCHO)(NC)(H)2	O(CCCH)(H)	C(CN[5]HH)(CHHN)(OH)(H)	C(CCHO)(NC)(H)2	O(CCCH)(H)	109.7775	2.222	2	109.7775	4.939	2	109.5008	3.635	18	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CCCH)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	C(CCCH)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	110.3847	2.091	4	110.3847	4.373	4	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CCCH)(CHHO)(OH)(H)	C(CCHO)(OSi)(H)2	O(CCCH)(H)	C(CCCH)(CHHO)(OH)(H)	C(CCHO)(OSi)(H)2	O(CCCH)(H)	106.9200	0.570	2	106.9200	0.325	2	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CCCN)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	C(CCCN)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	108.7010	0.000	1	108.7010	0.000	1	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CCCO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	C(CCCO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	109.3640	0.000	1	109.3640	0.000	1	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CCCO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	C(CCCO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	109.3065	0.248	2	109.3065	0.062	2	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	C(CCHH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	107.5740	0.000	1	107.5740	0.000	1	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CCHN)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	C(CCHN)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	111.3150	0.000	1	111.3150	0.000	1	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CCHN)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	C(CCHN)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	108.1815	0.395	2	108.1815	0.156	2	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	109.5226	2.349	5	109.5226	5.518	5	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	109.0882	1.980	73	109.0882	3.922	73	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CC[3x6]HN)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	C(CC[3x6]HN)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	106.3660	0.000	1	106.3660	0.000	1	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	C(CC[5]HH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	109.7150	0.000	1	109.7150	0.000	1	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CC[5]HO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	C(CC[5]HO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	111.4615	0.107	2	111.4615	0.011	2	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CC[5]HO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	C(CC[5]HO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	107.3547	1.435	3	107.3547	2.059	3	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CC[6]CH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	C(CC[6]CH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	108.0000	0.000	1	108.0000	0.000	1	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CC[6a]2H)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	C(CC[6a]2H)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	108.4170	0.000	1	108.4170	0.000	1	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CC[6a]HO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	C(CC[6a]HO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	107.3955	0.296	2	107.3955	0.088	2	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CC[6a]HP)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	C(CC[6a]HP)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	108.4030	1.325	3	108.4030	1.755	3	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	106.9190	0.000	1	106.9190	0.000	1	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CClCH)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	C(CClCH)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	110.4810	0.000	1	110.4810	0.000	1	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	106.3090	2.069	2	106.3090	4.281	2	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CHHO)(CHNN)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	C(CHHO)(CHNN)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	105.2280	0.000	1	105.2280	0.000	1	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CHHO)2(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	C(CHHO)2(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	110.2652	2.400	24	110.2652	5.761	24	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	C(CN[5]HH)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	O(CCCH)(H)	107.6620	0.000	1	107.6620	0.000	1	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	C(CN[6]HH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	O(CCCH)(H)	110.0400	0.000	1	110.0400	0.000	1	109.1617	4.399	137	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:	C(CCHO)(CHHS)(OH)(H)	C(CCHO)(SSn)(H)2	O(CCCH)(H)	C(CCHO)(CHHS)(OH)(H)	C(CCHO)(SSn)(H)2	O(CCCH)(H)	109.2720	1.496	2	109.2720	2.239	2	109.9830	2.636	3	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:	C(CHHN)(CHHS)(OH)(H)	C(CCHO)(SC)(H)2	O(CCCH)(H)	C(CHHN)(CHHS)(OH)(H)	C(CCHO)(SC)(H)2	O(CCCH)(H)	111.4050	0.000	1	111.4050	0.000	1	109.9830	2.636	3	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[3]C[3]2H)(CHHO)(OH)(H)	C(CC[3]HO)(OC)(H)2	O(CC[3]CH)(H)	C(C[3]C[3]2H)(CHHO)(OH)(H)	C(CC[3]HO)(OC)(H)2	O(CC[3]CH)(H)	110.4320	0.000	1	110.4320	0.000	1	109.0760	1.379	3	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[3]C[3]2H)(CHHO)(OH)(H)	C(CC[3]HO)(OH)(H)2	O(CC[3]CH)(H)	C(C[3]C[3]2H)(CHHO)(OH)(H)	C(CC[3]HO)(OH)(H)2	O(CC[3]CH)(H)	108.3980	0.000	2	108.3980	0.000	2	109.0760	1.379	3	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[4,5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[4,5]C[4,5]C[4]O[5])(CHHO)(OH)(H)	C(CC[4,5]HO)(OH)(H)2	O(CC[4,5]CH)(H)	C(C[4,5]C[4,5]C[4]O[5])(CHHO)(OH)(H)	C(CC[4,5]HO)(OH)(H)2	O(CC[4,5]CH)(H)	109.2735	1.133	2	109.2735	1.285	2	109.2735	1.285	2	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[4]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[4]C[4]N[4]H)(CHHO)(OH)(H)	C(CC[4]HO)(OH)(H)2	O(CC[4]CH)(H)	C(C[4]C[4]N[4]H)(CHHO)(OH)(H)	C(CC[4]HO)(OH)(H)2	O(CC[4]CH)(H)	113.1520	0.000	1	113.1520	0.000	1	113.1520	0.000	1	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	C(CC[5,6]HO)(OH)(H)2	O(CC[5,6]CH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	C(CC[5,6]HO)(OH)(H)2	O(CC[5,6]CH)(H)	110.3523	0.544	3	110.3523	0.296	3	110.3523	0.296	3	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	110.8483	0.476	3	110.8483	0.227	3	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	106.4790	0.000	1	106.4790	0.000	1	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(H)	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(H)	112.4390	0.000	1	112.4390	0.000	1	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]O)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5,6]C[5]O)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	109.7153	1.133	3	109.7153	1.284	3	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	110.2925	1.319	2	110.2925	1.739	2	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(H)	108.2790	0.000	1	108.2790	0.000	1	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	110.6215	1.238	2	110.6215	1.533	2	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	112.6440	0.000	1	112.6440	0.000	1	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(H)	109.6195	0.476	2	109.6195	0.226	2	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	106.9327	2.427	3	106.9327	5.888	3	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	C(CC[5]HO)(OSi)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	C(CC[5]HO)(OSi)(H)2	O(CC[5]CH)(H)	110.8750	0.000	1	110.8750	0.000	1	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(H)	109.9915	2.375	2	109.9915	5.641	2	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC[5])(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC[5])(H)2	O(CC[5]CH)(H)	110.0130	0.000	1	110.0130	0.000	1	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	109.2993	1.833	36	109.2993	3.360	36	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OS)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OS)(H)2	O(CC[5]CH)(H)	112.0070	0.849	2	112.0070	0.720	2	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OSi)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OSi)(H)2	O(CC[5]CH)(H)	109.0280	0.000	1	109.0280	0.000	1	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	O(CC[5]CH)(H)	109.3360	0.000	1	109.3360	0.000	1	109.5463	3.506	63	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	C(CC[5]HO)(SH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	C(CC[5]HO)(SH)(H)2	O(CC[5]CH)(H)	112.2330	0.000	1	112.2330	0.000	1	112.2330	0.000	1	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	C(CC[6]HO)(OH)(H)2	O(CC[6]CH)(H)	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	C(CC[6]HO)(OH)(H)2	O(CC[6]CH)(H)	110.8147	0.563	18	110.8147	0.317	18	109.8267	3.234	28	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2C)(CHHO)(OH)(H)	C(CC[6]HO)(OH)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]2C)(CHHO)(OH)(H)	C(CC[6]HO)(OH)(H)2	O(CC[6]CH)(H)	107.1582	2.023	4	107.1582	4.093	4	109.8267	3.234	28	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	C(CC[6]HO)(OC)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	C(CC[6]HO)(OC)(H)2	O(CC[6]CH)(H)	107.3120	0.000	1	107.3120	0.000	1	109.8267	3.234	28	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C(CC[6]HO)(OC)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C(CC[6]HO)(OC)(H)2	O(CC[6]CH)(H)	110.7080	0.231	2	110.7080	0.053	2	109.8267	3.234	28	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C(CC[6]HO)(OH)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C(CC[6]HO)(OH)(H)2	O(CC[6]CH)(H)	107.7070	1.047	3	107.7070	1.095	3	109.8267	3.234	28	109.4389	3.855	268	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:N-3:	C(CCHO)(CHHO)(ON)(H)	C(CCHO)(ON)(H)2	O(CCCH)(NOO)	C(CCHO)(CHHO)(ON)(H)	C(CCHO)(ON)(H)2	O(CCCH)(NOO)	110.2660	0.734	2	110.2660	0.539	2	110.2660	0.539	2	109.8506	0.670	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:Ga-3:	C(CHHN)(CHHS)(OGa)(H)	C(CCHO)(SC)(H)2	O(CCCH)(GaOO)	C(CHHN)(CHHS)(OGa)(H)	C(CCHO)(SC)(H)2	O(CCCH)(GaOO)	109.5737	0.885	3	109.5737	0.783	3	109.5737	0.783	3	109.8506	0.670	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-2:H-1:H-1:	C-4:P-4:	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NC)(H)2	O(CCCH)(PO3)	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NC)(H)2	O(CCCH)(PO3)	105.4190	0.024	3	105.4190	0.001	3	105.4190	0.001	3	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CH3)	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CH3)	108.0517	4.050	3	108.0517	16.406	3	108.4154	11.176	32	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CCCO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	O(CC[6a]CO)(CCCH)	C(CCCO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	O(CC[6a]CO)(CCCH)	106.3850	0.116	2	106.3850	0.013	2	108.4154	11.176	32	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CH3)	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CH3)	113.4765	0.545	2	113.4765	0.297	2	108.4154	11.176	32	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)2	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)2	105.0920	0.000	1	105.0920	0.000	1	108.4154	11.176	32	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(OSi)(H)2	O(CCCH)2	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(OSi)(H)2	O(CCCH)2	111.8900	0.000	1	111.8900	0.000	1	108.4154	11.176	32	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCHH)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCHH)	103.9290	0.100	2	103.9290	0.010	2	108.4154	11.176	32	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CH3)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CH3)	111.4433	3.090	4	111.4433	9.546	4	108.4154	11.176	32	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	O(CCCH)(CHHO)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	O(CCCH)(CHHO)	106.9125	0.281	8	106.9125	0.079	8	108.4154	11.176	32	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OSi)(H)2	O(CCCH)(CC3)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OSi)(H)2	O(CCCH)(CC3)	106.6900	0.000	1	106.6900	0.000	1	108.4154	11.176	32	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCHH)	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCHH)	112.5925	1.238	2	112.5925	1.533	2	108.4154	11.176	32	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(CH3)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CHHN)	C(CHHO)(CH3)(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CHHN)	113.7700	0.000	1	113.7700	0.000	1	108.4154	11.176	32	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)2(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCHH)	C(CHHO)2(OC)(H)	C(CCHO)(OC)(H)2	O(CCCH)(CCHH)	106.5260	0.000	1	106.5260	0.000	1	108.4154	11.176	32	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)2(OC)(H)	C(CCHO)(OH)(H)2	O(CN[5a]HH)(CCCH)	C(CHHO)2(OC)(H)	C(CCHO)(OH)(H)2	O(CN[5a]HH)(CCCH)	106.2167	3.156	3	106.2167	9.958	3	108.4154	11.176	32	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CSiCO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	O(CCCH)(CC3)	C(CSiCO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	O(CCCH)(CC3)	108.6820	0.000	1	108.6820	0.000	1	108.4154	11.176	32	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:S-4:	C(CCHO)(CHHO)(OS)(H)	C(CCHO)(OC)(H)2	O(CCCH)(SCOO)	C(CCHO)(CHHO)(OS)(H)	C(CCHO)(OC)(H)2	O(CCCH)(SCOO)	110.1277	1.376	4	110.1277	1.893	4	110.1277	1.893	4	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C(CCCH)(CHHO)(OSi)(H)	C(CCHO)(OC)(H)2	O(CCCH)(SiC3)	C(CCCH)(CHHO)(OSi)(H)	C(CCHO)(OC)(H)2	O(CCCH)(SiC3)	110.7090	0.000	1	110.7090	0.000	1	110.7090	0.000	1	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	P-4:C-4:	C(CC[6a]HP)(CHHO)(OP)(H)	C(CCHO)(OC)(H)2	O(PIrOO)(CCCH)	C(CC[6a]HP)(CHHO)(OP)(H)	C(CCHO)(OC)(H)2	O(PIrOO)(CCCH)	106.9460	0.000	1	106.9460	0.000	1	106.4725	0.256	6	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	P-4:C-4:	C(CC[6a]HS)(CHHO)(OP)(H)	C(CCHO)(OC)(H)2	O(PC[6a]2Pd)(CCCH)	C(CC[6a]HS)(CHHO)(OP)(H)	C(CCHO)(OC)(H)2	O(PC[6a]2Pd)(CCCH)	106.3778	0.503	5	106.3778	0.253	5	106.4725	0.256	6	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	Si-4:C-4:	C(CCHH)(CHHO)(OSi)(H)	C(CCHO)(OH)(H)2	O(SiC[6a]2C)(CCCH)	C(CCHH)(CHHO)(OSi)(H)	C(CCHO)(OH)(H)2	O(SiC[6a]2C)(CCCH)	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:Se-2:H-1:H-1:	P-4:C-4:	C(CSeHH)(CH3)(OP)(H)	C(CCHO)(SeC)(H)2	O(PC[6a]SeO)(CCCH)	C(CSeHH)(CH3)(OP)(H)	C(CCHO)(SeC)(H)2	O(PC[6a]SeO)(CCCH)	108.6740	1.201	2	108.6740	1.442	2	108.6740	1.442	2	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	C(CC[5,6]HO)(OC)(H)2	O(CC[5,6]CH)(CC[6a]HH)	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	C(CC[5,6]HO)(OC)(H)2	O(CC[5,6]CH)(CC[6a]HH)	111.4340	0.000	1	111.4340	0.000	1	111.4340	0.000	1	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:S-4:	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(SCOO)	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	C(CC[5]HO)(OC)(H)2	O(CC[5]CH)(SCOO)	112.5810	0.000	1	112.5810	0.000	1	112.5810	0.000	1	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(C[6]C[6]2Ru)(CHHO)(OC)(H)	C(CC[6]HO)(OP)(H)2	O(CC[6]CH)(CH3)	C(C[6]C[6]2Ru)(CHHO)(OC)(H)	C(CC[6]HO)(OP)(H)2	O(CC[6]CH)(CH3)	108.7278	3.190	5	108.7278	10.176	5	109.6040	9.546	7	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	C(CC[6]HO)(OC)(H)2	O(CC[6a]HH)(CC[6]CH)	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	C(CC[6]HO)(OC)(H)2	O(CC[6a]HH)(CC[6]CH)	113.0470	0.000	1	113.0470	0.000	1	109.6040	9.546	7	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C(CC[6]HO)(OC)(H)2	O(CC[6a]HH)(CC[6]CH)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C(CC[6]HO)(OC)(H)2	O(CC[6a]HH)(CC[6]CH)	110.5420	0.000	1	110.5420	0.000	1	109.6040	9.546	7	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:S-4:	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	C(CC[6]HO)(OS)(H)2	O(CC[6]CH)(SCOO)	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	C(CC[6]HO)(OS)(H)2	O(CC[6]CH)(SCOO)	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:Si-4:	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	C(CC[6]HO)(OSi)(H)2	O(CC[6]CH)(SiC3)	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	C(CC[6]HO)(OSi)(H)2	O(CC[6]CH)(SiC3)	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	108.5372	8.807	60	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:2:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-2:O-2:H-1:	C-4:C-4:	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(CC)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(CC)(OC)(H)	O(CCCH)(CH3)	106.1700	0.000	1	106.1700	0.000	1	106.1700	0.000	1	106.1700	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	3:4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	Ga-3:C-4:	C(CHHN)(CH3)(OGa)(H)	C(CCHO)(NCC)(H)2	O(GaClO)(CCCH)	C(CHHN)(CH3)(OGa)(H)	C(CCHO)(NCC)(H)2	O(GaClO)(CCCH)	109.9755	0.021	2	109.9755	0.000	2	109.9755	0.000	2	109.9755	0.000	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:Cl-1:H-1:	C-4:H-1:	C(CClCH)(CCHO)(OH)(H)	C(CCHO)(COO)(Cl)(H)	O(CCCH)(H)	C(CClCH)(CCHO)(OH)(H)	C(CCHO)(COO)(Cl)(H)	O(CCCH)(H)	104.5160	2.700	5	104.5160	7.292	5	105.7493	14.961	6	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:Cl-1:H-1:	C-4:H-1:	C(CClCH)2(OH)(H)	C(CCHO)(CCH)(Cl)(H)	O(CCCH)(H)	C(CClCH)2(OH)(H)	C(CCHO)(CCH)(Cl)(H)	O(CCCH)(H)	111.9160	0.000	1	111.9160	0.000	1	105.7493	14.961	6	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	110.3750	0.000	1	110.3750	0.000	1	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(H)	110.6070	0.000	1	110.6070	0.000	1	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	111.4490	0.000	1	111.4490	0.000	1	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCFF)(CCHH)(OH)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(H)	C(CCFF)(CCHH)(OH)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(H)	110.2640	0.000	1	110.2640	0.000	1	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(H)	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(H)	106.6497	2.408	3	106.6497	5.800	3	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CC3)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	C(CCHH)(CC3)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	106.5960	2.144	6	106.5960	4.598	6	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CCHO)(CNO)(H)2	O(CCCH)(H)	C(CCHH)(CCHN)(OH)(H)	C(CCHO)(CNO)(H)2	O(CCCH)(H)	110.6400	0.000	1	110.6400	0.000	1	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	C(CCHH)(CCHN)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	109.6936	1.547	7	109.6936	2.395	7	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	108.9297	0.806	3	108.9297	0.649	3	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(H)	106.4158	0.766	4	106.4158	0.587	4	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	112.3400	0.000	1	112.3400	0.000	1	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	106.7740	0.000	1	106.7740	0.000	1	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	C(CCHH)(CH3)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	107.3930	0.000	1	107.3930	0.000	1	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	108.9512	2.445	5	108.9512	5.976	5	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)2(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	C(CCHH)2(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	107.8682	2.288	5	107.8682	5.236	5	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)2(OH)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(H)	C(CCHH)2(OH)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(H)	109.3492	2.913	4	109.3492	8.487	4	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)2(OH)(H)	C(CCHO)(CNO)(H)2	O(CCCH)(H)	C(CCHH)2(OH)(H)	C(CCHO)(CNO)(H)2	O(CCCH)(H)	108.0690	1.643	2	108.0690	2.700	2	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)2(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	C(CCHH)2(OH)(H)	C(CCHO)(COO)(H)2	O(CCCH)(H)	109.4073	0.600	4	109.4073	0.360	4	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CC[5]CH)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	C(CC[5]CH)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	108.9795	2.000	2	108.9795	4.002	2	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CC[6a]HO)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	C(CC[6a]HO)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(H)	107.9080	0.000	1	107.9080	0.000	1	108.5334	4.597	54	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(H)	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(H)	110.7347	0.787	7	110.7347	0.620	7	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CCHN)(CHHN)(OH)(H)	C(CCHO)(NCS)(H)2	O(CCCH)(H)	C(CCHN)(CHHN)(OH)(H)	C(CCHO)(NCS)(H)2	O(CCCH)(H)	110.9097	0.691	3	110.9097	0.478	3	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(H)	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(H)	107.1887	1.729	4	107.1887	2.991	4	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(H)	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(H)	107.5983	3.396	3	107.5983	11.534	3	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CC[5,6,6]HH)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(H)	C(CC[5,6,6]HH)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(H)	110.7850	0.000	1	110.7850	0.000	1	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CC[5]HO)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(H)	C(CC[5]HO)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(H)	105.6230	0.000	1	105.6230	0.000	1	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CC[6a]C[4]O)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(H)	C(CC[6a]C[4]O)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(H)	108.7860	0.000	1	108.7860	0.000	1	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(H)	105.7760	0.000	1	105.7760	0.000	1	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(H)	108.4275	0.400	2	108.4275	0.160	2	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(H)	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(H)	109.7573	2.141	3	109.7573	4.585	3	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(H)	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(H)	111.4642	1.180	4	111.4642	1.391	4	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(H)	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(H)	111.4570	0.000	1	111.4570	0.000	1	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(H)	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(H)	109.1478	1.255	4	109.1478	1.576	4	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(CHHS)(OH)(H)	C(CCHO)(NCN)(H)2	O(CCCH)(H)	C(CHHN)(CHHS)(OH)(H)	C(CCHO)(NCN)(H)2	O(CCCH)(H)	108.3510	0.000	1	108.3510	0.000	1	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(H)	108.4366	1.378	5	108.4366	1.899	5	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(H)	109.5278	2.467	20	109.5278	6.085	20	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NHS)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(CCHO)(NHS)(H)2	O(CCCH)(H)	109.0430	0.000	1	109.0430	0.000	1	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NMnC)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(CCHO)(NMnC)(H)2	O(CCCH)(H)	109.9695	2.841	4	109.9695	8.070	4	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NNiC)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(CCHO)(NNiC)(H)2	O(CCCH)(H)	110.6425	2.231	8	110.6425	4.978	8	109.5348	4.902	74	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:	C(CCCH)(CHHS)(OH)(H)	C(CCHO)(SCO)(H)2	O(CCCH)(H)	C(CCCH)(CHHS)(OH)(H)	C(CCHO)(SCO)(H)2	O(CCCH)(H)	109.0200	0.000	1	109.0200	0.000	1	107.7603	3.314	3	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:	C(CHHS)2(OH)(H)	C(CCHO)(SFe2)(H)2	O(CCCH)(H)	C(CHHS)2(OH)(H)	C(CCHO)(SFe2)(H)2	O(CCCH)(H)	107.1305	2.061	2	107.1305	4.249	2	107.7603	3.314	3	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[3]C[3]2S)(CCHH)(OH)(H)	C(CC[3]HO)(CCO)(H)2	O(CC[3]CH)(H)	C(C[3]C[3]2S)(CCHH)(OH)(H)	C(CC[3]HO)(CCO)(H)2	O(CC[3]CH)(H)	107.4385	0.647	2	107.4385	0.419	2	107.2820	0.283	3	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CC[6]C)(H)2	O(CC[3]CH)(H)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CC[6]C)(H)2	O(CC[3]CH)(H)	106.9690	0.000	1	106.9690	0.000	1	107.2820	0.283	3	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[4]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[4]C[4]2S)(CCHH)(OH)(H)	C(CC[4]HO)(CCO)(H)2	O(CC[4]CH)(H)	C(C[4]C[4]2S)(CCHH)(OH)(H)	C(CC[4]HO)(CCO)(H)2	O(CC[4]CH)(H)	109.5800	0.000	1	109.5800	0.000	1	109.7095	0.034	2	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[4]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[4]C[4]N[4]H)(CCHH)(OH)(H)	C(CC[4]HO)(CCO)(H)2	O(CC[4]CH)(H)	C(C[4]C[4]N[4]H)(CCHH)(OH)(H)	C(CC[4]HO)(CCO)(H)2	O(CC[4]CH)(H)	109.8390	0.000	1	109.8390	0.000	1	109.7095	0.034	2	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(OH)(H)	C(CC[5,6]HO)(CCH)(H)2	O(CC[5,6]CH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(OH)(H)	C(CC[5,6]HO)(CCH)(H)2	O(CC[5,6]CH)(H)	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	C(CC[5,6]HO)(NCC)(H)2	O(CC[5,6]CH)(H)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	C(CC[5,6]HO)(NCC)(H)2	O(CC[5,6]CH)(H)	107.1275	1.357	4	107.1275	1.842	4	107.1275	1.842	4	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5]N[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5,5]N[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCH)(H)2	O(CC[5]CH)(H)	106.2710	0.000	1	106.2710	0.000	1	108.8871	4.791	9	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C(CC[5]HO)(CC[5]C)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C(CC[5]HO)(CC[5]C)(H)2	O(CC[5]CH)(H)	110.0277	1.483	3	110.0277	2.199	3	108.8871	4.791	9	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCO)(H)2	O(CC[5]CH)(H)	110.0620	0.000	1	110.0620	0.000	1	108.8871	4.791	9	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CC[6a]O)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CC[6a]O)(H)2	O(CC[5]CH)(H)	108.1060	1.161	2	108.1060	1.348	2	108.8871	4.791	9	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(COO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(COO)(H)2	O(CC[5]CH)(H)	108.6780	4.376	2	108.6780	19.146	2	108.8871	4.791	9	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CHHN)(OH)(H)	C(CC[5]HO)(NCH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CHHN)(OH)(H)	C(CC[5]HO)(NCH)(H)2	O(CC[5]CH)(H)	112.0535	0.513	2	112.0535	0.263	2	109.6500	9.166	4	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	C(CC[5]HO)(NCC)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	C(CC[5]HO)(NCC)(H)2	O(CC[5]CH)(H)	107.2465	2.032	2	107.2465	4.127	2	109.6500	9.166	4	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[6,6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	C(CC[6,6]HO)(CCH)(H)2	O(CC[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	C(CC[6,6]HO)(CCH)(H)2	O(CC[6,6]CH)(H)	109.4964	1.060	5	109.4964	1.124	5	109.4964	1.124	5	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CCC)(H)2	O(CC[6]CH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CCC)(H)2	O(CC[6]CH)(H)	109.8050	0.000	1	109.8050	0.000	1	110.6312	0.544	4	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2C)(CCHH)(OH)(H)	C(CC[6]HO)(CCC)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]2C)(CCHH)(OH)(H)	C(CC[6]HO)(CCC)(H)2	O(CC[6]CH)(H)	110.6930	0.000	1	110.6930	0.000	1	110.6312	0.544	4	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CC[5a]O)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CC[5a]O)(H)2	O(CC[6]CH)(H)	110.4420	0.000	1	110.4420	0.000	1	110.6312	0.544	4	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CCH)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CCH)(H)2	O(CC[6]CH)(H)	111.5850	0.000	1	111.5850	0.000	1	110.6312	0.544	4	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CHHN)(OH)(H)	C(CC[6]HO)(NCC)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CHHN)(OH)(H)	C(CC[6]HO)(NCC)(H)2	O(CC[6]CH)(H)	109.9440	0.000	1	109.9440	0.000	1	110.0270	0.014	2	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	C(CC[6]HO)(NOO)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	C(CC[6]HO)(NOO)(H)2	O(CC[6]CH)(H)	110.1100	0.000	1	110.1100	0.000	1	110.0270	0.014	2	108.9561	5.302	171	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:	C(CCHH)(CH3)(ON)(H)	C(CCHO)(CNO)(H)2	O(CCCH)(NCH)	C(CCHH)(CH3)(ON)(H)	C(CCHO)(CNO)(H)2	O(CCCH)(NCH)	107.0745	6.013	2	107.0745	36.151	2	107.0745	36.151	2	109.6740	7.657	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:Ga-3:	C(CHHN)(CH3)(OGa)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(GaCO)	C(CHHN)(CH3)(OGa)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(GaCO)	110.4420	0.047	2	110.4420	0.002	2	110.4426	0.199	5	109.6740	7.657	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:Ga-3:	C(CHHN)(CHHS)(OGa)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(GaOO)	C(CHHN)(CHHS)(OGa)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(GaOO)	110.4430	0.630	3	110.4430	0.397	3	110.4426	0.199	5	109.6740	7.657	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:P-3:	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(POO)	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(POO)	110.3520	2.630	2	110.3520	6.919	2	110.3520	6.919	2	109.6740	7.657	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(H)2	O(CC[6a]HH)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(H)2	O(CC[6a]HH)(CCCH)	109.7050	0.000	1	109.7050	0.000	1	108.1051	11.774	8	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCO)(H)2	O(CC[6]CH)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCO)(H)2	O(CC[6]CH)(CCCH)	104.0040	0.000	1	104.0040	0.000	1	108.1051	11.774	8	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCO)(H)2	O(CC[6a]C[6]H)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCO)(H)2	O(CC[6a]C[6]H)(CCCH)	104.6570	0.000	1	104.6570	0.000	1	108.1051	11.774	8	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(CCH)(H)2	O(CCCH)2	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(CCH)(H)2	O(CCCH)2	112.6620	0.000	1	112.6620	0.000	1	108.1051	11.774	8	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CCHH)2(OC)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(CH3)	C(CCHH)2(OC)(H)	C(CCHO)(CCO)(H)2	O(CCCH)(CH3)	107.3180	2.649	2	107.3180	7.016	2	108.1051	11.774	8	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(CCHH)(OC)(H)	C(CCHO)(CCH)(H)2	O(CC[5a]CH)(CCCH)	C(CC[6a]HH)(CCHH)(OC)(H)	C(CCHO)(CCH)(H)2	O(CC[5a]CH)(CCCH)	112.5660	0.000	1	112.5660	0.000	1	108.1051	11.774	8	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CIrHH)(CCHH)(OC)(H)	C(CCHO)(CIrO)(H)2	O(CCCH)(CCHH)	C(CIrHH)(CCHH)(OC)(H)	C(CCHO)(CIrO)(H)2	O(CCCH)(CCHH)	106.6110	0.000	1	106.6110	0.000	1	108.1051	11.774	8	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:P-4:	C(CCHH)(CHHN)(OP)(H)	C(CCHO)(COO)(H)2	O(CCCH)(PCOO)	C(CCHH)(CHHN)(OP)(H)	C(CCHO)(COO)(H)2	O(CCCH)(PCOO)	107.5380	0.000	1	107.5380	0.000	1	107.5380	0.000	1	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:Si-4:	C(CCCH)(CCHH)(OSi)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(SiC3)	C(CCCH)(CCHH)(OSi)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(SiC3)	107.9836	2.074	7	107.9836	4.300	7	108.6084	5.637	9	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:Si-4:	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(COO)(H)2	O(CCCH)(SiC3)	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(COO)(H)2	O(CCCH)(SiC3)	108.9250	0.000	1	108.9250	0.000	1	108.6084	5.637	9	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:Si-4:	C(CCHH)2(OSi)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(SiC3)	C(CCHH)2(OSi)(H)	C(CCHO)(CCH)(H)2	O(CCCH)(SiC3)	112.6660	0.000	1	112.6660	0.000	1	108.6084	5.637	9	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	Si-4:C-4:	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(CCH)(H)2	O(SiC[6a]3)(CCCH)	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(CCH)(H)2	O(SiC[6a]3)(CCCH)	106.0340	0.000	1	106.0340	0.000	1	108.4315	11.496	2	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	Si-4:C-4:	C(CCHH)2(OSi)(H)	C(CCHO)(CHN)(H)2	O(SiSi3)(CCCH)	C(CCHH)2(OSi)(H)	C(CCHO)(CHN)(H)2	O(SiSi3)(CCCH)	110.8290	0.000	1	110.8290	0.000	1	108.4315	11.496	2	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(CCHH)	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(CCHH)	109.5680	0.000	1	109.5680	0.000	1	107.7100	6.160	7	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	O(CC[5a]HH)(CCCH)	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	O(CC[5a]HH)(CCCH)	108.7910	0.000	1	108.7910	0.000	1	107.7100	6.160	7	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CCHH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(CCHH)	C(CCHH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(CCHH)	107.9525	4.399	2	107.9525	19.350	2	107.7100	6.160	7	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(CH3)	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(CH3)	108.3770	0.000	1	108.3770	0.000	1	107.7100	6.160	7	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CClHH)(CHHN)(OC)(H)	C(CCHO)(NHS)(H)2	O(CCCH)(CC3)	C(CClHH)(CHHN)(OC)(H)	C(CCHO)(NHS)(H)2	O(CCCH)(CC3)	104.2400	0.000	1	104.2400	0.000	1	107.7100	6.160	7	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NFeC)(H)2	O(CCCH)(CCHH)	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NFeC)(H)2	O(CCCH)(CCHH)	107.0890	0.000	1	107.0890	0.000	1	107.7100	6.160	7	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:P-4:	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(PO3)	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NCH)(H)2	O(CCCH)(PO3)	106.1985	0.209	2	106.1985	0.044	2	106.1985	0.044	2	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:S-4:	C(CCHN)(CHHN)(OS)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(SCOO)	C(CCHN)(CHHN)(OS)(H)	C(CCHO)(NCC)(H)2	O(CCCH)(SCOO)	103.8390	0.000	1	103.8390	0.000	1	103.8390	0.000	1	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	Si-4:C-4:	C(CHHN)(CH3)(OSi)(H)	C(CCHO)(NCC)(H)2	O(SiCOO)(CCCH)	C(CHHN)(CH3)(OSi)(H)	C(CCHO)(NCC)(H)2	O(SiCOO)(CCCH)	111.7982	4.931	5	111.7982	24.315	5	111.7982	24.315	5	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:	C(CHHS)2(OC)(H)	C(CCHO)(SFe2)(H)2	O(CC[6a]HH)(CCCH)	C(CHHS)2(OC)(H)	C(CCHO)(SFe2)(H)2	O(CC[6a]HH)(CCCH)	107.3348	1.895	6	107.3348	3.593	6	107.3348	3.593	6	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	P-4:C-4:	C(CHHS)2(OP)(H)	C(CCHO)(SFe2)(H)2	O(PBr2Fe)(CCCH)	C(CHHS)2(OP)(H)	C(CCHO)(SFe2)(H)2	O(PBr2Fe)(CCCH)	111.5790	0.618	2	111.5790	0.382	2	111.7570	0.889	6	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	P-4:C-4:	C(CHHS)2(OP)(H)	C(CCHO)(SFe2)(H)2	O(PC[6a]2Fe)(CCCH)	C(CHHS)2(OP)(H)	C(CCHO)(SFe2)(H)2	O(PC[6a]2Fe)(CCCH)	112.2280	1.831	2	112.2280	3.354	2	111.7570	0.889	6	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	P-4:C-4:	C(CHHS)2(OP)(H)	C(CCHO)(SFe2)(H)2	O(PCl2Fe)(CCCH)	C(CHHS)2(OP)(H)	C(CCHO)(SFe2)(H)2	O(PCl2Fe)(CCCH)	111.4640	0.173	2	111.4640	0.030	2	111.7570	0.889	6	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(C[3]C[3]2H)(CCHH)(OC)(H)	C(CC[3]HO)(COO)(H)2	O(CC[3]CH)(CH3)	C(C[3]C[3]2H)(CCHH)(OC)(H)	C(CC[3]HO)(COO)(H)2	O(CC[3]CH)(CH3)	105.7450	0.000	1	105.7450	0.000	1	105.7450	0.000	1	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	C(CC[5]HO)(CCH)(H)2	O(CC[5]CH)2	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	C(CC[5]HO)(CCH)(H)2	O(CC[5]CH)2	104.1105	0.213	2	104.1105	0.045	2	104.1105	0.045	2	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:Si-4:	C(C[5]C[5]2H)(CCHH)(OSi)(H)	C(CC[5]HO)(CCO)(H)2	O(CC[5]CH)(SiC3)	C(C[5]C[5]2H)(CCHH)(OSi)(H)	C(CC[5]HO)(CCO)(H)2	O(CC[5]CH)(SiC3)	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	C(CC[6]HO)(CNO)(H)2	O(CC[6]CH)(CH3)	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	C(CC[6]HO)(CNO)(H)2	O(CC[6]CH)(CH3)	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	108.5427	10.070	52	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	107.6305	0.235	2	107.6305	0.055	2	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(COO)(OS)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(COO)(OS)(H)	O(CCCH)(H)	108.7740	0.000	1	108.7740	0.000	1	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	110.6220	0.000	1	110.6220	0.000	1	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	109.2700	0.000	1	109.2700	0.000	1	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(H)	110.5080	0.000	1	110.5080	0.000	1	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	107.4260	0.000	1	107.4260	0.000	1	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	110.3160	0.031	2	110.3160	0.001	2	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CCC)(OC)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CCC)(OC)(H)	O(CCCH)(H)	110.8520	0.000	1	110.8520	0.000	1	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CCC)(OH)(H)	O(CCCH)(H)	109.7790	0.000	1	109.7790	0.000	1	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(H)	108.2160	0.000	1	108.2160	0.000	1	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	109.5012	1.855	5	109.5012	3.442	5	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	108.7360	0.000	2	108.7360	0.000	2	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CHN)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CHN)(OH)(H)	O(CCCH)(H)	109.0690	0.000	1	109.0690	0.000	1	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	109.3012	0.890	8	109.3012	0.792	8	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	109.6485	2.233	4	109.6485	4.986	4	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	108.9380	0.000	1	108.9380	0.000	1	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CClCH)(CCHO)(OH)(H)	C(CCHO)(COO)(OS)(H)	O(CCCH)(H)	C(CClCH)(CCHO)(OH)(H)	C(CCHO)(COO)(OS)(H)	O(CCCH)(H)	110.2610	0.000	1	110.2610	0.000	1	109.3409	1.671	34	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:N-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CC[5]HO)(CNO)(NN)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CC[5]HO)(CNO)(NN)(H)	O(CC[5]CH)(H)	112.9260	0.099	2	112.9260	0.010	2	112.9260	0.010	2	109.5401	2.270	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:N-2:H-1:	C-4:S-4:	C(CCHN)(CHHN)(OS)(H)	C(CCHO)(CCH)(NN)(H)	O(CCCH)(SCOO)	C(CCHN)(CHHN)(OS)(H)	C(CCHO)(CCH)(NN)(H)	O(CCCH)(SCOO)	106.6200	0.000	1	106.6200	0.000	1	106.6200	0.000	1	107.8873	4.991	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(COO)(OH)(H)	O(CCCH)(CH3)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(COO)(OH)(H)	O(CCCH)(CH3)	106.4810	0.000	1	106.4810	0.000	1	106.8557	3.197	6	107.8873	4.991	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C(CCHN)(CCHO)(OC)(H)	C(CCHO)(CCH)(OH)(H)	O(CC[6a]HH)(CCCH)	C(CCHN)(CCHO)(OC)(H)	C(CCHO)(CCH)(OH)(H)	O(CC[6a]HH)(CCCH)	110.3390	0.000	1	110.3390	0.000	1	106.8557	3.197	6	107.8873	4.991	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCO)(OC)(H)	O(CC[6a]HH)(CCCH)	105.8750	0.000	1	105.8750	0.000	1	106.8557	3.197	6	107.8873	4.991	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCO)(OSi)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCO)(OSi)(H)	O(CC[6a]HH)(CCCH)	105.9310	0.981	2	105.9310	0.963	2	106.8557	3.197	6	107.8873	4.991	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)2	C(CCHO)2(OC)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)2	106.5770	0.000	1	106.5770	0.000	1	106.8557	3.197	6	107.8873	4.991	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C(CCCO)(CCHO)(OSi)(H)	C(CCHO)(COO)(OC)(H)	O(CCCH)(SiC3)	C(CCCO)(CCHO)(OSi)(H)	C(CCHO)(COO)(OC)(H)	O(CCCH)(SiC3)	111.6090	0.000	1	111.6090	0.000	1	110.3730	1.201	3	107.8873	4.991	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C(CCHO)(CH3)(OSi)(H)	C(CCHO)(CCO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(CH3)(OSi)(H)	C(CCHO)(CCO)(OSi)(H)	O(CCCH)(SiC3)	109.7550	0.334	2	109.7550	0.111	2	110.3730	1.201	3	107.8873	4.991	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CCH)(NCH)(H)	O(CCCH)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CCH)(NCH)(H)	O(CCCH)(H)	113.9700	0.000	1	113.9700	0.000	1	109.3663	3.310	16	109.2597	3.296	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(CNO)(NCH)(H)	O(CCCH)(H)	C(CCHN)(CH3)(OH)(H)	C(CCHO)(CNO)(NCH)(H)	O(CCCH)(H)	107.0670	0.000	1	107.0670	0.000	1	109.3663	3.310	16	109.2597	3.296	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(COO)(NCH)(H)	O(CCCH)(H)	C(CCHN)(CH3)(OH)(H)	C(CCHO)(COO)(NCH)(H)	O(CCCH)(H)	109.3058	1.317	13	109.3058	1.734	13	109.3663	3.310	16	109.2597	3.296	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(COO)(NHS)(H)	O(CCCH)(H)	C(CCHN)(CH3)(OH)(H)	C(CCHO)(COO)(NHS)(H)	O(CCCH)(H)	107.8480	0.000	1	107.8480	0.000	1	109.3663	3.310	16	109.2597	3.296	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:3:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:C-3:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	C(CC[5]HO)(CCH)(COO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	C(CC[5]HO)(CCH)(COO)(H)	O(CC[5]CH)(H)	107.5540	0.000	1	107.5540	0.000	1	107.5540	0.000	1	109.2597	3.296	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:3:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:S-3:	C(CCHN)(CH3)(OS)(H)	C(CCHO)(CNO)(NCH)(H)	O(CCCH)(SOO)	C(CCHN)(CH3)(OS)(H)	C(CCHO)(CNO)(NCH)(H)	O(CCCH)(SOO)	107.8530	0.057	2	107.8530	0.003	2	107.8530	0.003	2	107.8530	0.003	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:	C(CCHN)(CH3)(OC)(H)	C(CCHO)(CNO)(NCH)(H)	O(CC[6a]HH)(CCCH)	C(CCHN)(CH3)(OC)(H)	C(CCHO)(CNO)(NCH)(H)	O(CC[6a]HH)(CCCH)	109.5370	0.000	1	109.5370	0.000	1	111.2463	2.240	3	111.2463	2.240	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:	C(CCHN)(CH3)(OC)(H)	C(CCHO)(COO)(NCS)(H)	O(CC[6a]CH)(CCCH)	C(CCHN)(CH3)(OC)(H)	C(CCHO)(COO)(NCS)(H)	O(CC[6a]CH)(CCCH)	112.1010	0.311	2	112.1010	0.097	2	111.2463	2.240	3	111.2463	2.240	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:3:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:S-2:	C-4:H-1:	C(CCNS)(CH3)(OH)(H)	C(CCHO)(COO)(NCH)(SC)	O(CCCH)(H)	C(CCNS)(CH3)(OH)(H)	C(CCHO)(COO)(NCH)(SC)	O(CCCH)(H)	112.0780	0.000	1	112.0780	0.000	1	112.0780	0.000	1	112.0780	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:3:2:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:C-2:	C-4:Si-4:	C(CCCN)(CCHH)(OSi)(H)	C(CCHO)(CCO)(NHS)(CC)	O(CCCH)(SiC3)	C(CCCN)(CCHH)(OSi)(H)	C(CCHO)(CCO)(NHS)(CC)	O(CCCH)(SiC3)	106.2220	0.000	1	106.2220	0.000	1	106.2220	0.000	1	106.2220	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:3:3:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:C-3:N-3:	C-4:Si-4:	C(CCCH)(CCCN)(OSi)(H)	C(CCHO)(CCO)(COO)(NCC)	O(CCCH)(SiC3)	C(CCCH)(CCCN)(OSi)(H)	C(CCHO)(CCO)(COO)(NCC)	O(CCCH)(SiC3)	106.6130	0.000	1	106.6130	0.000	1	106.6130	0.000	1	106.6130	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:	C(CCCH)(CH3)(OH)(H)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	O(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	O(CCCH)(H)	109.4990	0.000	1	109.4990	0.000	1	109.4903	0.092	3	108.7825	2.065	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHO)(CSiC)(CH3)(H)	O(CCCH)(H)	C(CCCH)2(OH)(H)	C(CCHO)(CSiC)(CH3)(H)	O(CCCH)(H)	109.4860	0.429	2	109.4860	0.184	2	109.4903	0.092	3	108.7825	2.065	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:4:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:	C(C[3]C[3]2H)(CCCH)(OH)(H)	C(CC[3]HO)(CN[5]O)(CH3)(H)	O(CC[3]CH)(H)	C(C[3]C[3]2H)(CCCH)(OH)(H)	C(CC[3]HO)(CN[5]O)(CH3)(H)	O(CC[3]CH)(H)	106.6590	0.000	1	106.6590	0.000	1	106.6590	0.000	1	108.7825	2.065	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:3:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:Si-4:	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CC[6]HO)(CC[5]O)(CH3)(H)	O(CC[6]CH)(SiC3)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CC[6]HO)(CC[5]O)(CH3)(H)	O(CC[6]CH)(SiC3)	110.2870	0.000	1	110.2870	0.000	1	110.2870	0.000	1	110.2870	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:H-1:	C(CBrCH)(CHHS)(OH)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	O(CCCH)(H)	C(CBrCH)(CHHS)(OH)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	O(CCCH)(H)	107.8070	0.000	1	107.8070	0.000	1	108.6886	3.210	5	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:H-1:	C(CBrCH)2(OH)(H)	C(CBrCH)(CCHO)(Br)(H)	O(CCCH)(H)	C(CBrCH)2(OH)(H)	C(CBrCH)(CCHO)(Br)(H)	O(CCCH)(H)	108.9090	1.989	4	108.9090	3.956	4	108.6886	3.210	5	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:	C(CC[5]HO)(CClCH)(OH)(H)	C(CCHO)(CH3)(Cl)(H)	O(CCCH)(H)	C(CC[5]HO)(CClCH)(OH)(H)	C(CCHO)(CH3)(Cl)(H)	O(CCCH)(H)	111.0880	0.000	1	111.0880	0.000	1	109.8462	4.923	18	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CClCH)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	O(CCCH)(H)	C(CC[6a]HH)(CClCH)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	O(CCCH)(H)	110.8690	0.000	1	110.8690	0.000	1	109.8462	4.923	18	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:	C(CClCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(Cl)(H)	O(CCCH)(H)	C(CClCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(Cl)(H)	O(CCCH)(H)	110.3363	1.947	3	110.3363	3.791	3	109.8462	4.923	18	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:	C(CClCH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	O(CCCH)(H)	C(CClCH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	O(CCCH)(H)	107.5665	2.816	2	107.5665	7.932	2	109.8462	4.923	18	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:	C(CClCH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	O(CCCH)(H)	C(CClCH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	O(CCCH)(H)	111.7860	0.000	1	111.7860	0.000	1	109.8462	4.923	18	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:	C(CClCH)(CHHO)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	O(CCCH)(H)	C(CClCH)(CHHO)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	O(CCCH)(H)	108.9830	0.000	1	108.9830	0.000	1	109.8462	4.923	18	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:	C(CClCH)2(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	O(CCCH)(H)	C(CClCH)2(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	O(CCCH)(H)	111.7290	0.000	1	111.7290	0.000	1	109.8462	4.923	18	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:	C(CClCH)2(OH)(H)	C(CCHO)(CHHO)(Cl)(H)	O(CCCH)(H)	C(CClCH)2(OH)(H)	C(CCHO)(CHHO)(Cl)(H)	O(CCCH)(H)	110.1170	0.000	1	110.1170	0.000	1	109.8462	4.923	18	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:	C(CClCH)2(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	O(CCCH)(H)	C(CClCH)2(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	O(CCCH)(H)	109.5024	2.754	7	109.5024	7.586	7	109.8462	4.923	18	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:H-1:	C(CCFF)(CCHH)(OH)(H)	C(CCFF)(CCHO)(F)2	O(CCCH)(H)	C(CCFF)(CCHH)(OH)(H)	C(CCFF)(CCHO)(F)2	O(CCCH)(H)	108.3670	0.000	1	108.3670	0.000	1	107.7840	0.680	2	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:H-1:	C(CCFF)(CCHO)(OH)(H)	C(CCHO)2(F)2	O(CCCH)(H)	C(CCFF)(CCHO)(OH)(H)	C(CCHO)2(F)2	O(CCCH)(H)	107.2010	0.000	1	107.2010	0.000	1	107.7840	0.680	2	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	C-4:H-1:	C(CCFH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(F)(H)	O(CCCH)(H)	C(CCFH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(F)(H)	O(CCCH)(H)	106.4270	0.000	1	106.4270	0.000	1	107.1485	1.041	2	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	C-4:H-1:	C(CC[6a]HN)(CCFH)(OH)(H)	C(CCHO)(CH3)(F)(H)	O(CCCH)(H)	C(CC[6a]HN)(CCFH)(OH)(H)	C(CCHO)(CH3)(F)(H)	O(CCCH)(H)	107.8700	0.000	1	107.8700	0.000	1	107.1485	1.041	2	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(H)	109.6611	1.937	7	109.6611	3.753	7	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	108.7665	1.658	21	108.7665	2.748	21	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(H)	108.8090	2.347	3	108.8090	5.510	3	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(H)	108.7380	0.000	1	108.7380	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	109.8475	1.153	2	109.8475	1.330	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]2O)(CCHO)(H)2	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]2O)(CCHO)(H)2	O(CCCH)(H)	107.3480	0.000	1	107.3480	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	O(CCCH)(H)	110.2788	0.873	4	110.2788	0.763	4	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CClCC)(CCHO)(H)2	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CClCC)(CCHO)(H)2	O(CCCH)(H)	110.7670	0.000	1	110.7670	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCN)(CCHH)(OH)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(H)	C(CCCN)(CCHH)(OH)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(H)	109.0090	0.000	1	109.0090	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(H)	107.0865	0.166	2	107.0865	0.028	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	108.5771	2.289	15	108.5771	5.240	15	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	106.1770	0.185	2	106.1770	0.034	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CC[4,6]HH)(CCHO)(H)2	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(CC[4,6]HH)(CCHO)(H)2	O(CCCH)(H)	111.5800	0.000	1	111.5800	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(H)	109.3362	2.494	6	109.3362	6.221	6	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CC3)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CC3)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	107.1400	0.000	2	107.1400	0.000	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CC3)(H)2	O(CCCH)(H)	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CC3)(H)2	O(CCCH)(H)	107.5900	0.000	1	107.5900	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CC3)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CC3)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	O(CCCH)(H)	108.4515	2.734	2	108.4515	7.477	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	106.4705	0.812	2	106.4705	0.660	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CCHN)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCHN)(OH)(H)	C(CCHN)(CCHO)(H)2	O(CCCH)(H)	112.4205	1.773	2	112.4205	3.143	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(H)	C(CCHH)(CCHN)(OH)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(H)	111.4960	0.000	1	111.4960	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	108.7566	1.738	19	108.7566	3.020	19	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(H)	110.5450	0.000	1	110.5450	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	108.1918	2.617	6	108.1918	6.848	6	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	O(CCCH)(H)	110.2840	0.000	1	110.2840	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CC[6]CH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CC[6]CH)(CCHO)(H)2	O(CCCH)(H)	109.4590	0.000	1	109.4590	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	O(CCCH)(H)	111.8185	1.336	2	111.8185	1.784	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(H)2	O(CCCH)(H)	108.6880	0.000	1	108.6880	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CF3)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CF3)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	113.2710	0.000	1	113.2710	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CF3)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	C(CCHH)(CF3)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	111.3190	3.435	2	111.3190	11.800	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CH3)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	109.1688	2.166	16	109.1688	4.690	16	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(H)	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(H)	109.6227	3.908	15	109.6227	15.271	15	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(H)	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(H)	107.1340	1.051	2	107.1340	1.104	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	C(CCHH)(CH3)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	111.3872	0.621	4	111.3872	0.386	4	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CH3)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	O(CCCH)(H)	108.0560	2.123	2	108.0560	4.506	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CH3)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	O(CCCH)(H)	109.8620	0.000	1	109.8620	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CH3)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	O(CCCH)(H)	110.9230	0.000	1	110.9230	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(OH)(H)	C(CC[6a]HN)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CH3)(OH)(H)	C(CC[6a]HN)(CCHO)(H)2	O(CCCH)(H)	110.0800	0.000	1	110.0800	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHN)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CHHN)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	111.4270	0.813	6	111.4270	0.661	6	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(H)	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(H)	108.7423	2.204	3	108.7423	4.860	3	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHO)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CHHO)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	O(CCCH)(H)	111.2660	0.000	1	111.2660	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHP)(OH)(H)	C(CCFF)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CHHP)(OH)(H)	C(CCFF)(CCHO)(H)2	O(CCCH)(H)	108.3820	0.000	1	108.3820	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	O(CCCH)(H)	111.1110	0.035	2	111.1110	0.001	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(OH)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)2(OH)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(H)	104.5450	0.000	1	104.5450	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	109.6366	2.088	29	109.6366	4.359	29	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(OH)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(H)	C(CCHH)2(OH)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(H)	110.4330	0.960	2	110.4330	0.922	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(OH)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(H)	C(CCHH)2(OH)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(H)	110.6210	0.000	1	110.6210	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	C(CCHH)2(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	109.9900	2.754	8	109.9900	7.582	8	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(OH)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)2(OH)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(H)	108.0980	0.935	3	108.0980	0.875	3	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(OH)(H)	C(CC[6a]CH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)2(OH)(H)	C(CC[6a]CH)(CCHO)(H)2	O(CCCH)(H)	109.8350	0.000	1	109.8350	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)2(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	O(CCCH)(H)	108.4295	1.476	2	108.4295	2.178	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]CH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(H)	C(CC[5]CH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(H)	105.9770	0.000	1	105.9770	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]CH)(CCHH)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	C(CC[5]CH)(CCHH)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	111.8760	0.000	1	111.8760	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]CO)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(H)	C(CC[5]CO)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(H)	110.3685	0.180	2	110.3685	0.033	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]CO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CC[5]CO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	106.6647	0.518	3	106.6647	0.268	3	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]CH)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(H)	C(CC[6]CH)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(H)	110.3230	0.000	1	110.3230	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	110.9150	0.000	1	110.9150	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(H)	108.5535	2.389	2	108.5535	5.709	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	110.3263	1.778	7	110.3263	3.160	7	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCHH)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CCHH)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	O(CCCH)(H)	107.1565	1.494	4	107.1565	2.233	4	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCHH)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CCHH)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(H)	106.3120	0.000	1	106.3120	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	109.7025	0.100	2	109.7025	0.010	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HO)(CCHH)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	C(CC[6]HO)(CCHH)(OH)(H)	C(CCHO)2(H)2	O(CCCH)(H)	106.7080	0.000	1	106.7080	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]CC)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]CC)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	110.0355	1.613	2	110.0355	2.601	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	112.4850	0.000	1	112.4850	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHH)(OH)(H)	C(CCHN)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CCHH)(OH)(H)	C(CCHN)(CCHO)(H)2	O(CCCH)(H)	107.3882	2.089	6	107.3882	4.363	6	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(H)	107.2115	4.079	2	107.2115	16.641	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHH)(OH)(H)	C(CC[5a]HN)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CCHH)(OH)(H)	C(CC[5a]HN)(CCHO)(H)2	O(CCCH)(H)	109.8645	0.162	2	109.8645	0.026	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHH)(OH)(H)	C(CC[6a]HN)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CCHH)(OH)(H)	C(CC[6a]HN)(CCHO)(H)2	O(CCCH)(H)	108.4653	2.260	3	108.4653	5.108	3	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HN)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HN)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	108.7730	0.109	4	108.7730	0.012	4	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HN)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(H)	C(CC[6a]HN)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	O(CCCH)(H)	112.5010	0.000	1	112.5010	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HO)(CCHH)(OH)(H)	C(CCHO)(CCHP)(H)2	O(CCCH)(H)	C(CC[6a]HO)(CCHH)(OH)(H)	C(CCHO)(CCHP)(H)2	O(CCCH)(H)	109.0810	0.000	1	109.0810	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CClCH)(CCHH)(OH)(H)	C(CClCH)(CCHO)(H)2	O(CCCH)(H)	C(CClCH)(CCHH)(OH)(H)	C(CClCH)(CCHO)(H)2	O(CCCH)(H)	109.2093	1.083	3	109.2093	1.173	3	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CN[5]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	107.7685	2.560	2	107.7685	6.556	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	C(CN[5a]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(H)	112.8310	0.000	1	112.8310	0.000	1	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CRhCH)(CCHH)(OH)(H)	C(CRhCH)(CCHO)(H)2	O(CCCH)(H)	C(CRhCH)(CCHH)(OH)(H)	C(CRhCH)(CCHO)(H)2	O(CCCH)(H)	99.2300	10.404	2	99.2300	108.251	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CSiHH)(CCHH)(OH)(H)	C(CCHO)(CC3)(H)2	O(CCCH)(H)	C(CSiHH)(CCHH)(OH)(H)	C(CCHO)(CC3)(H)2	O(CCCH)(H)	106.5310	2.244	2	106.5310	5.037	2	109.1199	6.116	271	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(NC3)(H)2	O(CCCH)(H)	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(NC3)(H)2	O(CCCH)(H)	108.6369	0.788	8	108.6369	0.621	8	109.5648	5.516	35	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(NH3)(H)2	O(CCCH)(H)	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(NH3)(H)2	O(CCCH)(H)	108.9213	1.971	6	108.9213	3.883	6	109.5648	5.516	35	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCHH)(H)2	O(CCCH)(H)	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCHH)(H)2	O(CCCH)(H)	107.0430	0.000	1	107.0430	0.000	1	109.5648	5.516	35	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(NC3)(H)2	O(CCCH)(H)	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(NC3)(H)2	O(CCCH)(H)	110.5500	0.000	1	110.5500	0.000	1	109.5648	5.516	35	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCCH)(H)2	O(CCCH)(H)	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCCH)(H)2	O(CCCH)(H)	107.3880	0.824	2	107.3880	0.680	2	109.5648	5.516	35	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NH3)(H)2	O(CCCH)(H)	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NH3)(H)2	O(CCCH)(H)	108.7170	2.199	2	108.7170	4.836	2	109.5648	5.516	35	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NC3)(H)2	O(CCCH)(H)	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NC3)(H)2	O(CCCH)(H)	112.2510	0.000	1	112.2510	0.000	1	109.5648	5.516	35	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NCHH)(H)2	O(CCCH)(H)	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NCHH)(H)2	O(CCCH)(H)	112.2847	2.003	7	112.2847	4.014	7	109.5648	5.516	35	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NCCH)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(CCHO)(NCCH)(H)2	O(CCCH)(H)	107.9850	0.000	1	107.9850	0.000	1	109.5648	5.516	35	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NCHH)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(CCHO)(NCHH)(H)2	O(CCCH)(H)	109.7752	3.723	4	109.7752	13.857	4	109.5648	5.516	35	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NH3)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(CCHO)(NH3)(H)2	O(CCCH)(H)	108.5065	1.034	2	108.5065	1.070	2	109.5648	5.516	35	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:P-4:H-1:H-1:	C-4:H-1:	C(CHHP)(CC3)(OH)(H)	C(CCHO)(PCCS)(H)2	O(CCCH)(H)	C(CHHP)(CC3)(OH)(H)	C(CCHO)(PCCS)(H)2	O(CCCH)(H)	110.6345	0.409	2	110.6345	0.168	2	110.6345	0.168	2	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:S-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(CHHS)(OH)(H)	C(CCHO)(SO3)(H)2	O(CCCH)(H)	C(CN[6]HH)(CHHS)(OH)(H)	C(CCHO)(SO3)(H)2	O(CCCH)(H)	113.4590	0.000	1	113.4590	0.000	1	113.4590	0.000	1	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[3]HH)(CCCH)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	O(CCCH)(H)	C(CC[3]HH)(CCCH)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	O(CCCH)(H)	110.6160	0.000	1	110.6160	0.000	1	108.3370	10.388	2	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[3]HH)(CCHO)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	O(CCCH)(H)	C(CC[3]HH)(CCHO)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	O(CCCH)(H)	106.0580	0.000	1	106.0580	0.000	1	108.3370	10.388	2	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5,6,6]HH)(CHHN)(OH)(H)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHO)(H)2	O(CCCH)(H)	C(CC[5,6,6]HH)(CHHN)(OH)(H)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHO)(H)2	O(CCCH)(H)	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2O)(CCHO)(H)2	O(CCCH)(H)	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2O)(CCHO)(H)2	O(CCCH)(H)	105.8303	0.123	3	105.8303	0.015	3	107.5669	5.569	10	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]CO)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	O(CCCH)(H)	C(CC[5]CO)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	O(CCCH)(H)	109.5190	0.000	1	109.5190	0.000	1	107.5669	5.569	10	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CCCH)(OH)(H)	C(C[5]O[5]2C)(CCHO)(H)2	O(CCCH)(H)	C(CC[5]HH)(CCCH)(OH)(H)	C(C[5]O[5]2C)(CCHO)(H)2	O(CCCH)(H)	111.7640	0.000	1	111.7640	0.000	1	107.5669	5.569	10	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CCHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)(H)	C(CC[5]HH)(CCHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)(H)	105.6415	0.839	2	105.6415	0.704	2	107.5669	5.569	10	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CClHH)(OH)(H)	C(C[5]C[5]2S)(CCHO)(H)2	O(CCCH)(H)	C(CC[5]HH)(CClHH)(OH)(H)	C(C[5]C[5]2S)(CCHO)(H)2	O(CCCH)(H)	107.7560	0.000	1	107.7560	0.000	1	107.5669	5.569	10	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CHHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)(H)	C(CC[5]HH)(CHHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)(H)	110.8970	0.000	1	110.8970	0.000	1	107.5669	5.569	10	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]CH)(CC[5]HH)(OH)(H)	C(C[5]O[5]2H)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]CH)(CC[5]HH)(OH)(H)	C(C[5]O[5]2H)(CCHO)(H)2	O(CCCH)(H)	106.9590	0.000	1	106.9590	0.000	1	107.5669	5.569	10	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HO)(CC[6]HH)(OH)(H)	C(C[6]S[6]2C)(CCHO)(H)2	O(CCCH)(H)	C(CC[5]HO)(CC[6]HH)(OH)(H)	C(C[6]S[6]2C)(CCHO)(H)2	O(CCCH)(H)	106.4600	0.000	1	106.4600	0.000	1	108.6955	2.441	24	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCCO)(OH)(H)	C(C[6]C[6]2C)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CCCO)(OH)(H)	C(C[6]C[6]2C)(CCHO)(H)2	O(CCCH)(H)	108.1280	0.000	1	108.1280	0.000	1	108.6955	2.441	24	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	O(CCCH)(H)	109.7242	0.460	4	109.7242	0.212	4	108.6955	2.441	24	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	O(CCCH)(H)	107.7160	2.690	2	107.7160	7.235	2	108.6955	2.441	24	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	O(CCCH)(H)	107.9154	1.541	7	107.9154	2.376	7	108.6955	2.441	24	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]O)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]O)(CCHO)(H)2	O(CCCH)(H)	109.4005	2.309	2	109.4005	5.330	2	108.6955	2.441	24	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CCHO)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CCHO)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	O(CCCH)(H)	109.4220	1.779	2	109.4220	3.165	2	108.6955	2.441	24	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CH3)(OH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	O(CCCH)(H)	C(CC[6]HH)(CH3)(OH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	O(CCCH)(H)	108.5460	0.997	2	108.5460	0.994	2	108.6955	2.441	24	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	O(CCCH)(H)	C(CC[6a]HH)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	O(CCCH)(H)	109.2320	0.177	2	109.2320	0.031	2	108.6955	2.441	24	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CN[6a]HH)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	O(CCCH)(H)	C(CN[6a]HH)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	O(CCCH)(H)	111.1650	0.000	1	111.1650	0.000	1	108.6955	2.441	24	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(CC3)(OH)(H)	C(NCuCC)(CCHO)(H)2	O(CCCH)(H)	C(CHHN)(CC3)(OH)(H)	C(NCuCC)(CCHO)(H)2	O(CCCH)(H)	109.9095	3.789	2	109.9095	14.359	2	108.9491	7.374	27	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(CH3)(OH)(H)	C(NCuCH)(CCHO)(H)2	O(CCCH)(H)	C(CHHN)(CH3)(OH)(H)	C(NCuCH)(CCHO)(H)2	O(CCCH)(H)	111.6100	0.000	1	111.6100	0.000	1	108.9491	7.374	27	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(NCoCC)(CCHO)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(NCoCC)(CCHO)(H)2	O(CCCH)(H)	108.0165	5.670	2	108.0165	32.152	2	108.9491	7.374	27	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(NCoCH)(CCHO)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(NCoCH)(CCHO)(H)2	O(CCCH)(H)	108.9224	2.619	14	108.9224	6.858	14	108.9491	7.374	27	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(NCuCH)(CCHO)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(NCuCH)(CCHO)(H)2	O(CCCH)(H)	109.7830	3.646	2	109.7830	13.292	2	108.9491	7.374	27	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(NNiCH)(CCHO)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(NNiCH)(CCHO)(H)2	O(CCCH)(H)	109.6955	1.050	2	109.6955	1.103	2	108.9491	7.374	27	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(NPdHH)(CCHO)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(NPdHH)(CCHO)(H)2	O(CCCH)(H)	108.6035	3.525	2	108.6035	12.425	2	108.9491	7.374	27	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(NZnCC)(CCHO)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(NZnCC)(CCHO)(H)2	O(CCCH)(H)	108.0020	0.000	1	108.0020	0.000	1	108.9491	7.374	27	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)2(OH)(H)	C(NZnCH)(CCHO)(H)2	O(CCCH)(H)	C(CHHN)2(OH)(H)	C(NZnCH)(CCHO)(H)2	O(CCCH)(H)	105.0850	0.000	1	105.0850	0.000	1	108.9491	7.374	27	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CCHH)(OH)(H)	C(N[5]C[5]2H)(CCHO)(H)2	O(CCCH)(H)	C(CN[5]HH)(CCHH)(OH)(H)	C(N[5]C[5]2H)(CCHO)(H)2	O(CCCH)(H)	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(CCHN)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	O(CCCH)(H)	C(CN[6]HH)(CCHN)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	O(CCCH)(H)	107.4500	0.679	2	107.4500	0.461	2	110.6650	3.720	11	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	O(CCCH)(H)	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	O(CCCH)(H)	111.2121	0.711	7	111.2121	0.505	7	110.6650	3.720	11	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2O)(CCHO)(H)2	O(CCCH)(H)	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2O)(CCHO)(H)2	O(CCCH)(H)	113.9100	0.000	1	113.9100	0.000	1	110.6650	3.720	11	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(CHHS)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	O(CCCH)(H)	C(CN[6]HH)(CHHS)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	O(CCCH)(H)	110.0200	0.000	1	110.0200	0.000	1	110.6650	3.720	11	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHP)(OH)(H)	C(PC[6a]2O)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CHHP)(OH)(H)	C(PC[6a]2O)(CCHO)(H)2	O(CCCH)(H)	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	S-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHS)(OH)(H)	C(SC[6a]OO)(CCHO)(H)2	O(CCCH)(H)	C(CCHH)(CHHS)(OH)(H)	C(SC[6a]OO)(CCHO)(H)2	O(CCCH)(H)	107.3030	0.660	2	107.3030	0.436	2	107.3030	0.436	2	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	Si-4:C-4:H-1:H-1:	C-4:H-1:	C(CSiHH)(CCHH)(OH)(H)	C(SiCCO)(CCHO)(H)2	O(CCCH)(H)	C(CSiHH)(CCHH)(OH)(H)	C(SiCCO)(CCHO)(H)2	O(CCCH)(H)	108.8105	2.829	2	108.8105	8.004	2	108.8105	8.004	2	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5,6,6]HH)(C[5]C[5]2O)(OH)(H)	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(CC[5,6,6]HH)(C[5]C[5]2O)(OH)(H)	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	O(CC[5]CH)(H)	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:Si-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(SiC3)(OH)(H)	C(CN[5]HH)(CSiHO)(H)2	O(CSiCH)(H)	C(CCHH)(SiC3)(OH)(H)	C(CN[5]HH)(CSiHO)(H)2	O(CSiCH)(H)	110.6980	0.000	1	110.6980	0.000	1	110.6980	0.000	1	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[3]C[3,5]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CCHH)(H)2	O(CC[3]CH)(H)	C(C[3]C[3,5]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CCHH)(H)2	O(CC[3]CH)(H)	107.8080	0.000	1	107.8080	0.000	1	108.7910	1.074	4	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[3]C[3]2H)(CCHH)(OH)(H)	C(CC[3]HO)(CCHH)(H)2	O(CC[3]CH)(H)	C(C[3]C[3]2H)(CCHH)(OH)(H)	C(CC[3]HO)(CCHH)(H)2	O(CC[3]CH)(H)	110.2120	0.000	1	110.2120	0.000	1	108.7910	1.074	4	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CCHH)(H)2	O(CC[3]CH)(H)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CCHH)(H)2	O(CC[3]CH)(H)	108.8370	0.000	1	108.8370	0.000	1	108.7910	1.074	4	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CH3)(H)2	O(CC[3]CH)(H)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CH3)(H)2	O(CC[3]CH)(H)	108.3070	0.000	1	108.3070	0.000	1	108.7910	1.074	4	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	C(C[5]C[5,5]C[5]H)(CC[3]HO)(H)2	O(CC[3]CH)(H)	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	C(C[5]C[5,5]C[5]H)(CC[3]HO)(H)2	O(CC[3]CH)(H)	108.3570	0.000	1	108.3570	0.000	1	110.3056	5.951	9	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CC[3]HO)(H)2	O(CC[3]CH)(H)	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CC[3]HO)(H)2	O(CC[3]CH)(H)	110.5491	2.488	8	110.5491	6.191	8	110.3056	5.951	9	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[4]C[4,6]C[4]H)(CCHH)(OH)(H)	C(CC[4]HO)(CH3)(H)2	O(CC[4]CH)(H)	C(C[4]C[4,6]C[4]H)(CCHH)(OH)(H)	C(CC[4]HO)(CH3)(H)2	O(CC[4]CH)(H)	107.7550	0.000	1	107.7550	0.000	1	107.7126	19.626	5	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[4]C[4]2H)(CCHH)(OH)(H)	C(CC[4]HO)(CC[6]HH)(H)2	O(CC[4]CH)(H)	C(C[4]C[4]2H)(CCHH)(OH)(H)	C(CC[4]HO)(CC[6]HH)(H)2	O(CC[4]CH)(H)	112.6150	0.000	1	112.6150	0.000	1	107.7126	19.626	5	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[4]C[4]2O)(CCHH)(OH)(H)	C(CC[4]HO)(CCHH)(H)2	O(CC[4]CH)(H)	C(C[4]C[4]2O)(CCHH)(OH)(H)	C(CC[4]HO)(CCHH)(H)2	O(CC[4]CH)(H)	111.5890	0.000	1	111.5890	0.000	1	107.7126	19.626	5	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[4]C[6a]C[4]2)(CCHH)(OH)(H)	C(CC[4]HO)(CCHH)(H)2	O(CC[4]CH)(H)	C(C[4]C[6a]C[4]2)(CCHH)(OH)(H)	C(CC[4]HO)(CCHH)(H)2	O(CC[4]CH)(H)	103.3020	0.733	2	103.3020	0.537	2	107.7126	19.626	5	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[4]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[4]C[4]2O)(CC[5]HH)(OH)(H)	C(C[5]C[5]O[5]C)(CC[4]HO)(H)2	O(CC[4]CH)(H)	C(C[4]C[4]2O)(CC[5]HH)(OH)(H)	C(C[5]C[5]O[5]C)(CC[4]HO)(H)2	O(CC[4]CH)(H)	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	C(CC[5,6,6]HO)(CHHN)(H)2	O(CC[5,6,6]CH)(H)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	C(CC[5,6,6]HO)(CHHN)(H)2	O(CC[5,6,6]CH)(H)	107.0010	2.256	3	107.0010	5.087	3	106.7620	3.620	4	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	C(CC[5,6,6]HO)(CN[6]HH)(H)2	O(CC[5,6,6]CH)(H)	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	C(CC[5,6,6]HO)(CN[6]HH)(H)2	O(CC[5,6,6]CH)(H)	106.0450	0.000	1	106.0450	0.000	1	106.7620	3.620	4	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCFF)(OH)(H)	C(CC[5]HO)(CCFF)(F)2	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CCFF)(OH)(H)	C(CC[5]HO)(CCFF)(F)2	O(CC[5]CH)(H)	106.7890	0.000	1	106.7890	0.000	1	106.7890	0.000	1	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	C(CC[5]CO)(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	C(CC[5]CO)(CC[5]HO)(H)2	O(CC[5]CH)(H)	109.8330	0.000	1	109.8330	0.000	1	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCCH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCCH)(H)2	O(CC[5]CH)(H)	105.7870	0.000	1	105.7870	0.000	1	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(H)	112.2620	0.000	1	112.2620	0.000	1	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2C)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2C)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(H)	106.7220	0.000	1	106.7220	0.000	1	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2C)(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2C)(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	O(CC[5]CH)(H)	111.6180	0.000	1	111.6180	0.000	1	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C(CC[5]HO)(CHHN)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C(CC[5]HO)(CHHN)(H)2	O(CC[5]CH)(H)	108.1890	0.000	1	108.1890	0.000	1	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C(CC[6a]CH)(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C(CC[6a]CH)(CC[5]HO)(H)2	O(CC[5]CH)(H)	110.4190	0.000	1	110.4190	0.000	1	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2O)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2O)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(H)	106.7190	0.322	2	106.7190	0.104	2	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(H)	109.1760	0.000	1	109.1760	0.000	1	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(H)	109.1507	1.183	3	109.1507	1.401	3	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(CC[5]HO)(CCCH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(CC[5]HO)(CCCH)(H)2	O(CC[5]CH)(H)	104.3070	0.000	1	104.3070	0.000	1	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	O(CC[5]CH)(H)	112.2780	0.000	1	112.2780	0.000	1	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CBrCH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CBrCH)(H)2	O(CC[5]CH)(H)	110.4300	0.000	1	110.4300	0.000	1	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(H)	109.3728	1.916	5	109.3728	3.669	5	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	O(CC[5]CH)(H)	109.4150	0.000	1	109.4150	0.000	1	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	O(CC[5]CH)(H)	112.4600	0.000	1	112.4600	0.000	1	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	O(CC[5]CH)(H)	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	O(CC[5]CH)(H)	110.3590	0.000	1	110.3590	0.000	1	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]O[5]2C)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(H)	C(C[5]O[5]2C)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(H)	108.4900	0.000	1	108.4900	0.000	1	109.1800	4.725	25	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2C)(CC[3,5]HH)(OH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2C)(CC[3,5]HH)(OH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CC[5]HO)(H)2	O(CC[5]CH)(H)	110.8170	0.000	1	110.8170	0.000	1	110.8170	0.000	1	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[3x5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2O)(CC[3x5]HH)(OH)(H)	C(C[3x5]C[5,5]3)(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2O)(CC[3x5]HH)(OH)(H)	C(C[3x5]C[5,5]3)(CC[5]HO)(H)2	O(CC[5]CH)(H)	107.8865	0.081	2	107.8865	0.007	2	107.8865	0.007	2	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	O(CC[5]CH)(H)	108.9831	1.364	17	108.9831	1.861	17	108.9831	1.861	17	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5]C[5]H)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CC[5]HO)(H)2	O(CC[5]CH)(H)	110.4920	0.000	1	110.4920	0.000	1	109.6390	3.565	3	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	C(C[5]C[5,5]C[5]H)(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	C(C[5]C[5,5]C[5]H)(CC[5]HO)(H)2	O(CC[5]CH)(H)	110.9500	0.000	1	110.9500	0.000	1	109.6390	3.565	3	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	C(C[5]C[5]2C)(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	C(C[5]C[5]2C)(CC[5]HO)(H)2	O(CC[5]CH)(H)	107.4750	0.000	1	107.4750	0.000	1	109.6390	3.565	3	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	C(C[6]C[6]2H)(CC[5]HO)(H)2	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	C(C[6]C[6]2H)(CC[5]HO)(H)2	O(CC[5]CH)(H)	106.5800	0.000	1	106.5800	0.000	1	106.5800	0.000	1	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CC3)(H)2	O(CC[6]CH)(H)	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CC3)(H)2	O(CC[6]CH)(H)	107.6587	1.066	4	107.6587	1.137	4	108.9236	3.377	19	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CCHH)(H)2	O(CC[6]CH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CCHH)(H)2	O(CC[6]CH)(H)	107.0835	0.245	2	107.0835	0.060	2	108.9236	3.377	19	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6]HO)(CCCH)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6]HO)(CCCH)(H)2	O(CC[6]CH)(H)	109.7580	1.497	4	109.7580	2.241	4	108.9236	3.377	19	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6]HO)(CCHH)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6]HO)(CCHH)(H)2	O(CC[6]CH)(H)	106.4570	0.000	1	106.4570	0.000	1	108.9236	3.377	19	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6]HO)(CH3)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6]HO)(CH3)(H)2	O(CC[6]CH)(H)	109.8180	0.000	1	109.8180	0.000	1	108.9236	3.377	19	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(H)2	O(CC[6]CH)(H)	112.4940	0.000	1	112.4940	0.000	1	108.9236	3.377	19	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(H)2	O(CC[6]CH)(H)	111.1840	0.000	1	111.1840	0.000	1	108.9236	3.377	19	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(CC[5]HH)(CC[6]HO)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(CC[5]HH)(CC[6]HO)(H)2	O(CC[6]CH)(H)	109.5560	0.000	1	109.5560	0.000	1	108.9236	3.377	19	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CCHH)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CCHH)(H)2	O(CC[6]CH)(H)	107.5275	0.366	2	107.5275	0.134	2	108.9236	3.377	19	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CCCH)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CCCH)(H)2	O(CC[6]CH)(H)	110.6020	0.000	1	110.6020	0.000	1	108.9236	3.377	19	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CH3)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CH3)(H)2	O(CC[6]CH)(H)	110.5480	0.000	1	110.5480	0.000	1	108.9236	3.377	19	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	C(CC[6]HO)(NCHH)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	C(CC[6]HO)(NCHH)(H)2	O(CC[6]CH)(H)	109.9484	2.046	5	109.9484	4.187	5	109.9484	4.187	5	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	C(C[4]C[4]2C)(CC[6]HO)(H)2	O(CC[6]CH)(H)	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	C(C[4]C[4]2C)(CC[6]HO)(H)2	O(CC[6]CH)(H)	111.9990	0.000	1	111.9990	0.000	1	111.9990	0.000	1	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	C(C[5,5]C[5,5]C[5,6]C[5])(CC[6]HO)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	C(C[5,5]C[5,5]C[5,6]C[5])(CC[6]HO)(H)2	O(CC[6]CH)(H)	104.4950	0.000	1	104.4950	0.000	1	104.4950	0.000	1	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[5]-4:C-4:F-1:F-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[5]FF)(OH)(H)	C(C[5]N[5]O[5]C)(CC[6]HO)(F)2	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[5]FF)(OH)(H)	C(C[5]N[5]O[5]C)(CC[6]HO)(F)2	O(CC[6]CH)(H)	108.5200	0.741	2	108.5200	0.549	2	108.5200	0.549	2	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[5]HH)(OH)(H)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[5]HH)(OH)(H)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	O(CC[6]CH)(H)	108.7320	0.051	2	108.7320	0.003	2	108.0682	8.840	5	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CC[5]HH)(OH)(H)	C(C[5]C[5]O[5]H)(CC[6]HO)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CC[5]HH)(OH)(H)	C(C[5]C[5]O[5]H)(CC[6]HO)(H)2	O(CC[6]CH)(H)	107.6257	4.116	3	107.6257	16.944	3	108.0682	8.840	5	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[6]HH)(OH)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[6]HH)(OH)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	O(CC[6]CH)(H)	113.2330	0.000	2	113.2330	0.000	2	113.2330	0.000	2	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	N-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(NCoCH)(CHHN)(OH)(H)	C(NCoHH)(CHNO)(H)2	O(CCHN)(H)	C(NCoCH)(CHHN)(OH)(H)	C(NCoHH)(CHNO)(H)2	O(CCHN)(H)	110.3820	0.000	1	110.3820	0.000	1	110.3820	0.000	1	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	P-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(PC[6a]2O)(CCHH)(OH)(H)	C(CCHH)(CHOP)(H)2	O(CCHP)(H)	C(PC[6a]2O)(CCHH)(OH)(H)	C(CCHH)(CHOP)(H)2	O(CCHP)(H)	113.7040	0.000	1	113.7040	0.000	1	111.6995	8.036	2	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:1:	P-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(PC[6a]2Pd)(CCHH)(OH)(H)	C(CHHP)(CHOP)(H)2	O(CCHP)(H)	C(PC[6a]2Pd)(CCHH)(OH)(H)	C(CHHP)(CHOP)(H)2	O(CCHP)(H)	109.6950	0.000	1	109.6950	0.000	1	111.6995	8.036	2	109.1352	5.637	530	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	O(CCCH)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	O(CCCH)2	107.7710	1.778	6	107.7710	3.160	6	107.7267	2.647	7	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(Br)(H)	O(CCCH)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(Br)(H)	O(CCCH)2	107.4610	0.000	1	107.4610	0.000	1	107.7267	2.647	7	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	Si-4:C-4:	C(CBrCH)(CCFH)(OSi)(H)	C(CCHO)(CHHO)(Br)(H)	O(SiSi3)(CCCH)	C(CBrCH)(CCFH)(OSi)(H)	C(CCHO)(CHHO)(Br)(H)	O(SiSi3)(CCCH)	108.6250	0.000	1	108.6250	0.000	1	110.1913	2.082	3	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	Si-4:C-4:	C(CBrCH)(CHHS)(OSi)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	O(SiC[6a]2C)(CCCH)	C(CBrCH)(CHHS)(OSi)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	O(SiC[6a]2C)(CCCH)	110.9745	0.695	2	110.9745	0.483	2	110.1913	2.082	3	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:	C(CClCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Cl)(H)	O(CCCH)2	C(CClCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Cl)(H)	O(CCCH)2	106.8090	0.000	1	106.8090	0.000	1	106.8090	0.000	1	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	S-4:C-4:	C(CClCH)(CH3)(OS)(H)	C(CClCH)(CCHO)(Cl)(H)	O(SC[6a]OO)(CCCH)	C(CClCH)(CH3)(OS)(H)	C(CClCH)(CCHO)(Cl)(H)	O(SC[6a]OO)(CCCH)	105.7025	1.371	4	105.7025	1.881	4	105.7025	1.881	4	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	S-4:C-4:	C(CCFH)(CCHH)(OS)(H)	C(CCHH)(CCHO)(F)(H)	O(SC[6a]OO)(CCCH)	C(CCFH)(CCHH)(OS)(H)	C(CCHH)(CCHO)(F)(H)	O(SC[6a]OO)(CCCH)	105.4880	0.000	1	105.4880	0.000	1	105.4880	0.000	1	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	Si-4:C-4:	C(CBrCH)(CCFH)(OSi)(H)	C(CC[6a]HO)(CCHO)(F)(H)	O(SiSi3)(CCCH)	C(CBrCH)(CCFH)(OSi)(H)	C(CC[6a]HO)(CCHO)(F)(H)	O(SiSi3)(CCCH)	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CBrCH)(CCHO)(H)2	O(CCCH)2	C(CBrCH)(CCHH)(OC)(H)	C(CBrCH)(CCHO)(H)2	O(CCCH)2	106.2650	0.000	1	106.2650	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCHH)	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CCHH)	108.4940	0.000	1	108.4940	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)2	108.8772	1.127	5	108.8772	1.270	5	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	O(CCCH)2	107.1780	0.000	1	107.1780	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CH3)	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CH3)	103.9395	0.299	2	103.9395	0.089	2	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHOO)(H)2	O(CCCH)(CH3)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHOO)(H)2	O(CCCH)(CH3)	110.1910	0.000	1	110.1910	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CH3)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CH3)	106.9330	2.471	2	106.9330	6.104	2	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CHHO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CHHO)	105.9910	0.000	1	105.9910	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CC[3]HH)(CCHO)(H)2	O(CCCH)(CH3)	C(CCCH)(CCHH)(OC)(H)	C(CC[3]HH)(CCHO)(H)2	O(CCCH)(CH3)	105.7310	0.000	1	105.7310	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)2	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)2	110.8715	3.357	2	110.8715	11.267	2	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCCO)(CCHH)(OC)(H)	C(CC[5a]HO)(CCHO)(H)2	O(CCCH)2	C(CCCO)(CCHH)(OC)(H)	C(CC[5a]HO)(CCHO)(H)2	O(CCCH)2	108.1410	0.718	2	108.1410	0.516	2	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCCO)(CCHH)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(CC3)	C(CCCO)(CCHH)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(CC3)	109.4930	0.000	1	109.4930	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CC3)(OC)(H)	C(CC[5]HH)(CCHO)(H)2	O(CC[6a]HH)(CCCH)	C(CCHH)(CC3)(OC)(H)	C(CC[5]HH)(CCHO)(H)2	O(CC[6a]HH)(CCCH)	110.9155	0.111	2	110.9155	0.012	2	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CC3)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(CC3)	C(CCHH)(CC3)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(CC3)	104.6040	0.000	1	104.6040	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CCHN)(OC)(H)	C(CCHO)(CHHO)(H)2	O(CC[6a]HH)(CCCH)	C(CCHH)(CCHN)(OC)(H)	C(CCHO)(CHHO)(H)2	O(CC[6a]HH)(CCCH)	108.8760	0.000	1	108.8760	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(CH3)	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(CH3)	111.5452	3.312	4	111.5452	10.966	4	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CH3)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CH3)	108.3860	0.000	1	108.3860	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(H)2	O(CC[6a]HH)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(H)2	O(CC[6a]HH)(CCCH)	107.0320	0.000	1	107.0320	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(CCHH)	C(CCHH)(CCHO)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	O(CCCH)(CCHH)	105.7930	0.000	1	105.7930	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(CF3)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(CF3)	105.1860	0.246	2	105.1860	0.061	2	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	O(CCCH)2	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	O(CCCH)2	112.7772	0.388	5	112.7772	0.151	5	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	O(CC[6]CH)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	O(CC[6]CH)(CCCH)	106.1930	0.000	1	106.1930	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	O(CC[6a]C[6]H)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	O(CC[6a]C[6]H)(CCCH)	103.3160	0.000	1	103.3160	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)(H)	C(CC[5]HH)(CCHO)(H)2	O(CC[5]CH)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CC[5]HH)(CCHO)(H)2	O(CC[5]CH)(CCCH)	112.7590	0.000	1	112.7590	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	O(CC[6a]CH)(CCCH)	C(CCHH)(CH3)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	O(CC[6a]CH)(CCCH)	109.9030	0.000	1	109.9030	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CHHN)(OC)(H)	C(CN[5a]HH)(CCHO)(H)2	O(CCCH)(CCHH)	C(CCHH)(CHHN)(OC)(H)	C(CN[5a]HH)(CCHO)(H)2	O(CCCH)(CCHH)	106.3285	0.489	2	106.3285	0.239	2	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CHHO)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)2	C(CCHH)(CHHO)(OC)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)2	114.1510	0.000	1	114.1510	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CHHO)(OC)(H)	C(CC[6a]2H)(CCHO)(H)2	O(CCCH)(CH3)	C(CCHH)(CHHO)(OC)(H)	C(CC[6a]2H)(CCHO)(H)2	O(CCCH)(CH3)	108.8750	0.204	2	108.8750	0.041	2	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CH3)	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CH3)	109.4300	3.276	3	109.4300	10.733	3	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)2	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)2	109.3028	4.381	4	109.3028	19.193	4	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]HH)(CCCH)	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]HH)(CCCH)	107.2765	4.513	2	107.2765	20.371	2	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)2(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CH3)	C(CCHH)2(OC)(H)	C(CCHO)2(H)2	O(CCCH)(CH3)	106.1500	0.000	1	106.1500	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]HH)(CCCH)	C(CC[5]HH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CC[6a]HH)(CCCH)	111.3190	0.000	1	111.3190	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CClCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)2	C(CClCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)2	109.2820	0.000	1	109.2820	0.000	1	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CPdCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CH3)	C(CPdCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CH3)	106.4730	3.045	3	106.4730	9.274	3	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CPtCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CH3)	C(CPtCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(CH3)	105.6180	0.260	2	105.6180	0.068	2	108.5726	9.366	64	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:	C(CCHH)(CH3)(OS)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(SO3)	C(CCHH)(CH3)(OS)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(SO3)	106.6575	0.209	2	106.6575	0.044	2	106.6575	0.044	2	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(SiC3)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(CCHO)(H)2	O(CCCH)(SiC3)	108.7058	2.295	5	108.7058	5.268	5	108.7125	2.605	13	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(CCCH)(CCHH)(OSi)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(SiC3)	C(CCCH)(CCHH)(OSi)(H)	C(CCHH)(CCHO)(H)2	O(CCCH)(SiC3)	108.6610	0.000	1	108.6610	0.000	1	108.7125	2.605	13	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(CCCH)(CCHH)(OSi)(H)	C(CN[5a]CH)(CCHO)(H)2	O(CCCH)(SiC3)	C(CCCH)(CCHH)(OSi)(H)	C(CN[5a]CH)(CCHO)(H)2	O(CCCH)(SiC3)	106.4770	0.000	1	106.4770	0.000	1	108.7125	2.605	13	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(CCCN)(CCHH)(OSi)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(SiC3)	C(CCCN)(CCHH)(OSi)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(SiC3)	109.9470	0.000	1	109.9470	0.000	1	108.7125	2.605	13	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(CCHH)(CCHO)(OSi)(H)	C(CCHO)(CHHS)(H)2	O(CCCH)(SiC3)	C(CCHH)(CCHO)(OSi)(H)	C(CCHO)(CHHS)(H)2	O(CCCH)(SiC3)	109.6030	1.295	2	109.6030	1.678	2	108.7125	2.605	13	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(CCHH)2(OSi)(H)	C(CCHO)2(H)2	O(CCCH)(SiC3)	C(CCHH)2(OSi)(H)	C(CCHO)2(H)2	O(CCCH)(SiC3)	108.2450	0.000	1	108.2450	0.000	1	108.7125	2.605	13	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(CC[6]CC)(CCHH)(OSi)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(SiC3)	C(CC[6]CC)(CCHH)(OSi)(H)	C(CCHO)(CHHO)(H)2	O(CCCH)(SiC3)	108.5985	0.400	2	108.5985	0.160	2	108.7125	2.605	13	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CC[6a]ClH)(CCHH)(OP)(H)	C(CCHH)(CCHO)(H)2	O(PC[6a]2O)(CCCH)	C(CC[6a]ClH)(CCHH)(OP)(H)	C(CCHH)(CCHO)(H)2	O(PC[6a]2O)(CCCH)	108.3120	0.000	1	108.3120	0.000	1	108.3120	0.000	1	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:	C(CCFH)(CCHH)(OS)(H)	C(CCHH)(CCHO)(H)2	O(SC[6a]OO)(CCCH)	C(CCFH)(CCHH)(OS)(H)	C(CCHH)(CCHO)(H)2	O(SC[6a]OO)(CCCH)	110.0050	0.000	1	110.0050	0.000	1	105.8753	15.799	3	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:	C(CCHH)(CCHO)(OS)(H)	C(CCHH)(CCHO)(H)2	O(SC[6a]OO)(CCCH)	C(CCHH)(CCHO)(OS)(H)	C(CCHH)(CCHO)(H)2	O(SC[6a]OO)(CCCH)	102.0760	0.000	1	102.0760	0.000	1	105.8753	15.799	3	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:	C(CCHH)(CH3)(OS)(H)	C(CCHO)(CHHO)(H)2	O(SC[6a]OO)(CCCH)	C(CCHH)(CH3)(OS)(H)	C(CCHO)(CHHO)(H)2	O(SC[6a]OO)(CCCH)	105.5450	0.000	1	105.5450	0.000	1	105.8753	15.799	3	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	Si-4:C-4:	C(CCHH)(CC3)(OSi)(H)	C(CCHO)2(H)2	O(SiSi3)(CCCH)	C(CCHH)(CC3)(OSi)(H)	C(CCHO)2(H)2	O(SiSi3)(CCCH)	107.2380	0.000	1	107.2380	0.000	1	109.1157	2.224	9	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	Si-4:C-4:	C(CCHH)(CC3)(OSi)(H)	C(CC[6a]HH)(CCHO)(H)2	O(SiC[6a]3)(CCCH)	C(CCHH)(CC3)(OSi)(H)	C(CC[6a]HH)(CCHO)(H)2	O(SiC[6a]3)(CCCH)	106.5000	0.000	1	106.5000	0.000	1	109.1157	2.224	9	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	Si-4:C-4:	C(CCHH)(CCHO)(OSi)(H)	C(CCHO)(CHHO)(H)2	O(SiC[6a]2C)(CCCH)	C(CCHH)(CCHO)(OSi)(H)	C(CCHO)(CHHO)(H)2	O(SiC[6a]2C)(CCCH)	108.3320	0.000	1	108.3320	0.000	1	109.1157	2.224	9	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	Si-4:C-4:	C(CCHH)(CH3)(OSi)(H)	C(CCHO)2(H)2	O(SiC[6a]3)(CCCH)	C(CCHH)(CH3)(OSi)(H)	C(CCHO)2(H)2	O(SiC[6a]3)(CCCH)	109.8745	0.146	2	109.8745	0.021	2	109.1157	2.224	9	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	Si-4:C-4:	C(CCHH)(CHHO)(OSi)(H)	C(CCHH)(CCHO)(H)2	O(SiC[6a]2C)(CCCH)	C(CCHH)(CHHO)(OSi)(H)	C(CCHH)(CCHO)(H)2	O(SiC[6a]2C)(CCCH)	109.7000	0.000	1	109.7000	0.000	1	109.1157	2.224	9	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	Si-4:C-4:	C(CCHH)2(OSi)(H)	C(CCHO)2(H)2	O(SiSi3)(CCCH)	C(CCHH)2(OSi)(H)	C(CCHO)2(H)2	O(SiSi3)(CCCH)	109.1230	0.000	1	109.1230	0.000	1	109.1157	2.224	9	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	Si-4:C-4:	C(CPdCH)(CCHH)(OSi)(H)	C(CCHO)2(H)2	O(SiC[6a]3)(CCCH)	C(CPdCH)(CCHH)(OSi)(H)	C(CCHO)2(H)2	O(SiC[6a]3)(CCCH)	110.6995	0.527	2	110.6995	0.278	2	109.1157	2.224	9	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(CFHH)(CHHN)(OC)(H)	C(CCHO)(NCCH)(H)2	O(CC[6a]HH)(CCCH)	C(CFHH)(CHHN)(OC)(H)	C(CCHO)(NCCH)(H)2	O(CC[6a]HH)(CCCH)	107.5460	0.000	1	107.5460	0.000	1	107.6415	0.018	2	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NH3)(H)2	O(CCCH)(CCHH)	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NH3)(H)2	O(CCCH)(CCHH)	107.7370	0.000	1	107.7370	0.000	1	107.6415	0.018	2	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:P-4:	C(CCHH)(CHHN)(OP)(H)	C(CCHO)(NC3)(H)2	O(CCCH)(PCOO)	C(CCHH)(CHHN)(OP)(H)	C(CCHO)(NC3)(H)2	O(CCCH)(PCOO)	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:C-4:	C(CC[5]BrH)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(Br)(H)	O(CCCH)2	C(CC[5]BrH)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(Br)(H)	O(CCCH)2	102.2230	0.000	1	102.2230	0.000	1	102.2230	0.000	1	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(CCHH)(OC)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	O(CC[6a]HH)(CCCH)	C(CC[5]HH)(CCHH)(OC)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	O(CC[6a]HH)(CCCH)	104.3200	0.000	1	104.3200	0.000	1	106.3920	3.290	4	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)(CH3)	C(CC[5]HH)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O(CCCH)(CH3)	108.0970	0.000	1	108.0970	0.000	1	106.3920	3.290	4	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)2(OC)(H)	C(C[5]C[5]N[5]H)(CCHO)(H)2	O(CC[6a]HH)(CCCH)	C(CC[5]HH)2(OC)(H)	C(C[5]C[5]N[5]H)(CCHO)(H)2	O(CC[6a]HH)(CCCH)	106.5755	1.613	2	106.5755	2.601	2	106.3920	3.290	4	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6]HH)(CCHN)(OC)(H)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	O(CCCH)(CH3)	C(CC[6]HH)(CCHN)(OC)(H)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	O(CCCH)(CH3)	108.3020	0.000	1	108.3020	0.000	1	108.3020	0.000	1	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	S-4:C-4:H-1:H-1:	Si-4:C-4:	C(CBrCH)(CHHS)(OSi)(H)	C(SC[6a]OO)(CCHO)(H)2	O(SiC[6a]2C)(CCCH)	C(CBrCH)(CHHS)(OSi)(H)	C(SC[6a]OO)(CCHO)(H)2	O(SiC[6a]2C)(CCCH)	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(C[3]C[3]2H)(CCHH)(OP)(H)	C(CC[3]HO)(CH3)(H)2	O(PC[6a]2O)(CC[3]CH)	C(C[3]C[3]2H)(CCHH)(OP)(H)	C(CC[3]HO)(CH3)(H)2	O(PC[6a]2O)(CC[3]CH)	106.8170	0.000	1	106.8170	0.000	1	106.8170	0.000	1	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	C(C[6]C[6]2H)(CC[5,6]HO)(H)2	O(CC[5,6]CH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	C(C[6]C[6]2H)(CC[5,6]HO)(H)2	O(CC[5,6]CH)(CH3)	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(C[5]C[5,5]C[5]2)(CCHH)(OC)(H)	C(CC[5]HH)(CC[5]HO)(H)2	O(CC[5]CH)(CHHO)	C(C[5]C[5,5]C[5]2)(CCHH)(OC)(H)	C(CC[5]HH)(CC[5]HO)(H)2	O(CC[5]CH)(CHHO)	108.3015	0.589	2	108.3015	0.347	2	108.0281	5.354	10	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CCCH)(H)2	O(CC[5]CH)(CHHO)	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CCCH)(H)2	O(CC[5]CH)(CHHO)	107.8508	1.143	4	107.8508	1.306	4	108.0281	5.354	10	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	C(CC[5]HO)(CH3)(H)2	O(CC[5]CH)2	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	C(CC[5]HO)(CH3)(H)2	O(CC[5]CH)2	105.4690	0.078	2	105.4690	0.006	2	108.0281	5.354	10	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(C[5]C[5]2O)(CCHH)(OC)(H)	C(CC[5]HO)(CCCH)(H)2	O(CC[5]CH)(CH3)	C(C[5]C[5]2O)(CCHH)(OC)(H)	C(CC[5]HO)(CCCH)(H)2	O(CC[5]CH)(CH3)	113.5490	0.000	1	113.5490	0.000	1	108.0281	5.354	10	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(CH3)	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(CH3)	107.7880	0.000	1	107.7880	0.000	1	108.0281	5.354	10	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	C(CC[5]HH)(CC[5]HO)(H)2	O(CC[5]CH)(SCOO)	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	C(CC[5]HH)(CC[5]HO)(H)2	O(CC[5]CH)(SCOO)	107.8870	0.000	1	107.8870	0.000	1	107.8870	0.000	1	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(SiC3)	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(SiC3)	110.1730	0.000	1	110.1730	0.000	1	110.4277	1.836	3	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	C(CC[5]HO)(CHHO)(H)2	O(CC[5]CH)(SiC3)	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	C(CC[5]HO)(CHHO)(H)2	O(CC[5]CH)(SiC3)	111.8920	0.000	1	111.8920	0.000	1	110.4277	1.836	3	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(SiC3)	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	C(CC[5]HO)(CCHH)(H)2	O(CC[5]CH)(SiC3)	109.2180	0.000	1	109.2180	0.000	1	110.4277	1.836	3	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	O(CC[5]CH)(CHHO)	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	O(CC[5]CH)(CHHO)	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCCH)(H)2	O(CC[6]CH)(CC[6]HH)	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCCH)(H)2	O(CC[6]CH)(CC[6]HH)	108.0440	0.000	1	108.0440	0.000	1	107.9230	0.029	2	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCCH)(H)2	O(CC[6]CH)(CH3)	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCCH)(H)2	O(CC[6]CH)(CH3)	107.8020	0.000	1	107.8020	0.000	1	107.9230	0.029	2	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	Si-4:C-4:	C(C[6]C[6]2H)(CCHH)(OSi)(H)	C(CC[6]HO)(CCHN)(H)2	O(SiC[6a]2C)(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(OSi)(H)	C(CC[6]HO)(CCHN)(H)2	O(SiC[6a]2C)(CC[6]CH)	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	C(C[4]C[4]O[4]H)(CC[6]HO)(H)2	O(CC[6]CH)(SiC3)	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	C(C[4]C[4]O[4]H)(CC[6]HO)(H)2	O(CC[6]CH)(SiC3)	106.0930	0.000	1	106.0930	0.000	1	106.0930	0.000	1	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:1:1:	4:4:	P-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(PC[6a]OO)(CCHH)(OP)(H)	C(CCCH)(CHOP)(H)2	O(PC[6a]CO)(CCHP)	C(PC[6a]OO)(CCHH)(OP)(H)	C(CCCH)(CHOP)(H)2	O(PC[6a]CO)(CCHP)	108.4620	0.000	1	108.4620	0.000	1	108.4620	0.000	1	108.2848	6.671	141	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-2:H-1:	C-4:H-1:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)(CC)(H)	O(CCCH)(H)	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)(CC)(H)	O(CCCH)(H)	109.5050	0.000	2	109.5050	0.000	2	109.5050	0.000	2	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NC)(H)	O(CCCH)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NC)(H)	O(CCCH)(H)	112.1980	0.000	1	112.1980	0.000	1	108.9805	8.279	6	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:	C(CCCH)(CCHN)(OH)(H)	C(CCHO)2(NH)(H)	O(CCCH)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCHO)2(NH)(H)	O(CCCH)(H)	105.7970	0.000	1	105.7970	0.000	1	108.9805	8.279	6	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CCHO)2(NN)(H)	O(CCCH)(H)	C(CCHH)(CCHN)(OH)(H)	C(CCHO)2(NN)(H)	O(CCCH)(H)	106.7650	0.066	2	106.7650	0.004	2	108.9805	8.279	6	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:	C(CClCH)(CCHN)(OH)(H)	C(CCHO)2(NN)(H)	O(CCCH)(H)	C(CClCH)(CCHN)(OH)(H)	C(CCHO)2(NN)(H)	O(CCCH)(H)	111.1790	1.192	2	111.1790	1.421	2	108.9805	8.279	6	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(H)	110.4185	2.429	4	110.4185	5.902	4	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCCH)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(H)	109.0730	0.000	1	109.0730	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCCH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	106.4945	1.084	2	106.4945	1.175	2	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCCH)(CCHO)(OH)(H)	C(CC[5]CH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CC[5]CH)(CCHO)(OH)(H)	O(CCCH)(H)	107.9790	0.000	1	107.9790	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCFF)(CCHO)(OH)(H)	C(CCHO)(CC3)(OC)(H)	O(CCCH)(H)	C(CCFF)(CCHO)(OH)(H)	C(CCHO)(CC3)(OC)(H)	O(CCCH)(H)	110.7040	0.000	1	110.7040	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(H)	109.2320	1.218	2	109.2320	1.483	2	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(H)	108.9697	2.014	22	108.9697	4.054	22	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OSi)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OSi)(H)	O(CCCH)(H)	111.8840	0.000	1	111.8840	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CC3)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CC3)(OH)(H)	O(CCCH)(H)	112.7680	0.000	1	112.7680	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CH3)(OSi)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CH3)(OSi)(H)	O(CCCH)(H)	108.2810	0.000	1	108.2810	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(OC)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(OC)(H)	O(CCCH)(H)	110.6510	0.929	2	110.6510	0.863	2	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	109.3180	0.787	5	109.3180	0.620	5	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OC)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OC)(H)	O(CCCH)(H)	112.3400	0.000	1	112.3400	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(OH)(H)	O(CCCH)(H)	109.2240	0.000	1	109.2240	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(H)	107.3140	0.000	1	107.3140	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OS)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OS)(H)	O(CCCH)(H)	107.3820	0.000	1	107.3820	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	107.7365	2.545	2	107.7365	6.476	2	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CH3)(OH)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CH3)(OH)(H)	O(CCCH)(H)	108.4930	0.000	1	108.4930	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(H)	105.2450	0.000	1	105.2450	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OC)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OC)(H)	O(CCCH)(H)	110.4810	0.000	1	110.4810	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	112.9200	0.000	1	112.9200	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OSi)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OSi)(H)	O(CCCH)(H)	108.2610	0.000	1	108.2610	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CCCH)(H)	107.4010	0.453	4	107.4010	0.205	4	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CC3)(OH)(H)	C(CCFF)(CCHO)(OC)(H)	O(CCCH)(H)	C(CCHO)(CC3)(OH)(H)	C(CCFF)(CCHO)(OC)(H)	O(CCCH)(H)	109.7530	0.000	1	109.7530	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CC3)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CC3)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(H)	105.3360	0.000	1	105.3360	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CC3)(OH)(H)	O(CCCH)(H)	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CC3)(OH)(H)	O(CCCH)(H)	107.8065	1.009	2	107.8065	1.018	2	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CC3)(OH)(H)	C(CCHO)2(OC)(H)	O(CCCH)(H)	C(CCHO)(CC3)(OH)(H)	C(CCHO)2(OC)(H)	O(CCCH)(H)	109.6150	0.000	1	109.6150	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CFHH)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(CFHH)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	111.2490	0.000	1	111.2490	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CH3)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	110.9670	0.000	1	110.9670	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CH3)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CH3)(OH)(H)	O(CCCH)(H)	110.6179	3.235	8	110.6179	10.464	8	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CH3)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	110.2250	1.236	2	110.2250	1.528	2	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CHHN)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(CHHN)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	110.3710	1.920	8	110.3710	3.685	8	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCCH)(CCHO)(OC)(H)	O(CCCH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCCH)(CCHO)(OC)(H)	O(CCCH)(H)	110.4375	0.603	2	110.4375	0.364	2	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCCH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCCH)(CCHO)(OH)(H)	O(CCCH)(H)	107.9930	0.000	1	107.9930	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	107.5280	0.000	1	107.5280	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(H)	109.1380	1.854	2	109.1380	3.437	2	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)2(OC)(H)	O(CCCH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)2(OC)(H)	O(CCCH)(H)	108.6970	0.000	1	108.6970	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	109.9202	1.715	68	109.9202	2.940	68	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CCCH)(H)	110.0270	1.431	3	110.0270	2.048	3	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CHHS)(OH)(H)	C(CCHO)(CHHS)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHHS)(OH)(H)	C(CCHO)(CHHS)(OH)(H)	O(CCCH)(H)	108.8150	3.554	2	108.8150	12.630	2	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCCH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCCH)(CCHO)(OH)(H)	O(CCCH)(H)	108.4775	0.790	2	108.4775	0.624	2	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(H)	107.6280	2.775	2	107.6280	7.699	2	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(H)	109.5552	1.675	5	109.5552	2.806	5	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	101.7500	0.000	1	101.7500	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CC3)(OC)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CC3)(OC)(H)	O(CCCH)(H)	112.6060	0.000	1	112.6060	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CFHH)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CFHH)(OH)(H)	O(CCCH)(H)	110.7800	0.000	1	110.7800	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CH3)(OC)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CH3)(OC)(H)	O(CCCH)(H)	109.0320	0.000	1	109.0320	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CH3)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CH3)(OH)(H)	O(CCCH)(H)	109.1430	1.122	3	109.1430	1.259	3	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CHHN)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CHHN)(OH)(H)	O(CCCH)(H)	107.5203	3.600	8	107.5203	12.957	8	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(H)	108.9986	1.620	10	108.9986	2.625	10	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(H)	109.1897	1.695	68	109.1897	2.873	68	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	109.3454	2.366	69	109.3454	5.598	69	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CCHO)2(OSi)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OSi)(H)	O(CCCH)(H)	111.5220	0.000	1	111.5220	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CC[3]HH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CC[3]HH)(CCHO)(OH)(H)	O(CCCH)(H)	113.9720	0.000	1	113.9720	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CCCH)(H)	110.2670	0.000	1	110.2670	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(OH)(H)	C(CC[5a]HO)(CCHO)(OH)(H)	O(CCCH)(H)	C(CCHO)2(OH)(H)	C(CC[5a]HO)(CCHO)(OH)(H)	O(CCCH)(H)	111.5120	0.000	1	111.5120	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[3]HH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CC[3]HH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	110.7110	0.000	1	110.7110	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]CH)(CCHO)(OH)(H)	C(CCCH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[5]CH)(CCHO)(OH)(H)	C(CCCH)(CCHO)(OH)(H)	O(CCCH)(H)	109.1690	0.000	1	109.1690	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HH)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[5]HH)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CCCH)(H)	111.1940	2.974	2	111.1940	8.845	2	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(H)	108.9035	0.111	4	108.9035	0.012	4	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	O(CCCH)(H)	110.2273	2.152	3	110.2273	4.632	3	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	110.5580	0.000	1	110.5580	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OH)(H)	O(CCCH)(H)	107.9865	0.032	2	107.9865	0.001	2	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5a]CH)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OC)(H)	O(CCCH)(H)	C(CC[5a]CH)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OC)(H)	O(CCCH)(H)	109.1320	0.000	1	109.1320	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5a]HO)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	C(CC[5a]HO)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	O(CCCH)(H)	109.8380	0.000	1	109.8380	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[6]HH)(CCHO)(OH)(H)	C(CC[6]HH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[6]HH)(CCHO)(OH)(H)	C(CC[6]HH)(CCHO)(OH)(H)	O(CCCH)(H)	110.6410	1.772	2	110.6410	3.140	2	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]2O)(CCHO)(OH)(H)	C(CC[6a]2O)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[6a]2O)(CCHO)(OH)(H)	C(CC[6a]2O)(CCHO)(OH)(H)	O(CCCH)(H)	108.7700	0.932	6	108.7700	0.869	6	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(OH)(H)	O(CCCH)(H)	112.1432	0.603	4	112.1432	0.363	4	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CClCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CClCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(H)	107.7280	0.000	1	107.7280	0.000	1	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CClCH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CClCH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	O(CCCH)(H)	110.0538	0.993	4	110.0538	0.986	4	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CN[6a]HH)(CCHO)(OH)(H)	C(CN[6a]HH)(CCHO)(OH)(H)	O(CCCH)(H)	C(CN[6a]HH)(CCHO)(OH)(H)	C(CN[6a]HH)(CCHO)(OH)(H)	O(CCCH)(H)	110.1575	2.186	2	110.1575	4.777	2	109.4259	4.245	373	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[5]HO)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O(CCCH)(H)	113.4150	0.000	1	113.4150	0.000	1	108.8626	7.865	19	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	O(CCCH)(H)	C(CC[5]HO)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	O(CCCH)(H)	111.0030	0.000	1	111.0030	0.000	1	108.8626	7.865	19	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	O(CCCH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	O(CCCH)(H)	108.4815	0.357	2	108.4815	0.128	2	108.8626	7.865	19	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O(CCCH)(H)	107.7703	0.161	3	107.7703	0.026	3	108.8626	7.865	19	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	O(CCCH)(H)	105.5635	0.348	4	105.5635	0.121	4	108.8626	7.865	19	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CC[6]HH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O(CCCH)(H)	C(CC[5]HO)(CC[6]HH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O(CCCH)(H)	110.1650	0.000	1	110.1650	0.000	1	108.8626	7.865	19	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CClCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[5]HO)(CClCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O(CCCH)(H)	109.9720	0.000	1	109.9720	0.000	1	108.8626	7.865	19	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CHHN)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[5]HO)(CHHN)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O(CCCH)(H)	111.4720	0.000	1	111.4720	0.000	1	108.8626	7.865	19	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	O(CCCH)(H)	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	O(CCCH)(H)	108.1305	0.446	2	108.1305	0.199	2	108.8626	7.865	19	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	O(CCCH)(H)	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	O(CCCH)(H)	113.7785	0.938	2	113.7785	0.880	2	108.8626	7.865	19	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O(CCCH)(H)	106.0160	0.000	1	106.0160	0.000	1	108.8626	7.865	19	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[6]HO)(CCCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[6]HO)(CCCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	O(CCCH)(H)	107.1300	0.000	1	107.1300	0.000	1	107.9270	0.953	5	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[6]HO)(CCHH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[6]HO)(CCHH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	O(CCCH)(H)	107.8680	0.745	2	107.8680	0.555	2	107.9270	0.953	5	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[6]HO)(CCHH)(OH)(H)	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[6]HO)(CCHH)(OH)(H)	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	O(CCCH)(H)	107.3370	0.000	1	107.3370	0.000	1	107.9270	0.953	5	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[6]HO)(CCHO)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	O(CCCH)(H)	C(CC[6]HO)(CCHO)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	O(CCCH)(H)	109.4320	0.000	1	109.4320	0.000	1	107.9270	0.953	5	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:P-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(PO3)(OH)(H)	C(CCHO)(CHOP)(OC)(H)	O(CCHP)(H)	C(CCHO)(PO3)(OH)(H)	C(CCHO)(CHOP)(OC)(H)	O(CCHP)(H)	108.7465	4.965	2	108.7465	24.647	2	110.3797	20.325	3	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C-4:P-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(PO3)(OH)(H)	C(CCHO)(CHOP)(OS)(H)	O(CCHP)(H)	C(CCHO)(PO3)(OH)(H)	C(CCHO)(CHOP)(OS)(H)	O(CCHP)(H)	113.6460	0.000	1	113.6460	0.000	1	110.3797	20.325	3	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	C(CC[5,5]HO)(CCHO)(OC)(H)	O(CC[5,5]CH)(H)	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	C(CC[5,5]HO)(CCHO)(OC)(H)	O(CC[5,5]CH)(H)	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-2:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C(CC[5]HO)(CH3)(CC)(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C(CC[5]HO)(CH3)(CC)(H)	O(CC[5]CH)(H)	106.1800	0.000	1	106.1800	0.000	1	106.1800	0.000	1	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CC[5]HO)(CCHH)(NC)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CC[5]HO)(CCHH)(NC)(H)	O(CC[5]CH)(H)	110.4280	0.000	1	110.4280	0.000	1	110.4280	0.000	1	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OC)(H)	O(CC[5]CH)(H)	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OC)(H)	O(CC[5]CH)(H)	110.8550	0.824	4	110.8550	0.679	4	110.0043	4.965	20	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHO)(OH)(H)	C(CC[5]HO)(CCCH)(OC)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCHO)(OH)(H)	C(CC[5]HO)(CCCH)(OC)(H)	O(CC[5]CH)(H)	108.1792	1.451	4	108.1792	2.105	4	110.0043	4.965	20	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCCH)(OH)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCCH)(OH)(H)	O(CC[5]CH)(H)	109.4840	0.000	1	109.4840	0.000	1	110.0043	4.965	20	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OC)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OC)(H)	O(CC[5]CH)(H)	107.0930	0.000	1	107.0930	0.000	1	110.0043	4.965	20	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CC[5]CH)(H)	110.0350	1.343	3	110.0350	1.804	3	110.0043	4.965	20	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CClCH)(OH)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CClCH)(OH)(H)	O(CC[5]CH)(H)	109.9840	0.000	1	109.9840	0.000	1	110.0043	4.965	20	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CHHN)(OH)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CHHN)(OH)(H)	O(CC[5]CH)(H)	106.0760	0.000	1	106.0760	0.000	1	110.0043	4.965	20	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CHHO)(OH)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CHHO)(OH)(H)	O(CC[5]CH)(H)	108.6650	0.000	1	108.6650	0.000	1	110.0043	4.965	20	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CC[5]CH)(H)	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CC[5]CH)(H)	113.1355	0.569	4	113.1355	0.323	4	110.0043	4.965	20	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]C[5]2Fe)(CC[5]HO)(OH)(H)	C(C[5]C[5]2Fe)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2Fe)(CC[5]HO)(OH)(H)	C(C[5]C[5]2Fe)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	110.7810	1.178	6	110.7810	1.388	6	110.0103	2.192	14	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	108.6980	1.674	2	108.6980	2.804	2	110.0103	2.192	14	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	O(CC[5]CH)(H)	109.6770	1.489	6	109.6770	2.216	6	110.0103	2.192	14	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-2:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6]HO)2(CC)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6]HO)2(CC)(H)	O(CC[6]CH)(H)	109.5315	2.295	2	109.5315	5.265	2	109.5315	5.265	2	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	C(CC[6]HO)(CCHH)(OH)(H)	O(CC[6]CH)(H)	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	C(CC[6]HO)(CCHH)(OH)(H)	O(CC[6]CH)(H)	110.1910	0.714	2	110.1910	0.510	2	109.8424	1.059	5	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C(CC[6]HO)(CCCH)(OH)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C(CC[6]HO)(CCCH)(OH)(H)	O(CC[6]CH)(H)	109.3190	0.000	1	109.3190	0.000	1	109.8424	1.059	5	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C(CC[6]HO)(CCHO)(OH)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C(CC[6]HO)(CCHO)(OH)(H)	O(CC[6]CH)(H)	108.4920	0.000	1	108.4920	0.000	1	109.8424	1.059	5	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	C(CC[6]HO)(CCHH)(OH)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	C(CC[6]HO)(CCHH)(OH)(H)	O(CC[6]CH)(H)	111.0190	0.000	1	111.0190	0.000	1	109.8424	1.059	5	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	O(CC[6]CH)(H)	108.0862	1.675	30	108.0862	2.804	30	108.0862	2.804	30	109.3472	4.400	482	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:N-3:	C(CCHO)(CHHO)(ON)(H)	C(CCHO)(CHHO)(ON)(H)	O(CCCH)(NOO)	C(CCHO)(CHHO)(ON)(H)	C(CCHO)(CHHO)(ON)(H)	O(CCCH)(NOO)	102.6810	0.406	2	102.6810	0.165	2	102.6810	0.165	2	102.6810	0.165	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-2:H-1:	C-4:C-4:	C(CCCH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CC)(H)	O(CCCH)(CH3)	C(CCCH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CC)(H)	O(CCCH)(CH3)	109.6855	4.067	2	109.6855	16.537	2	109.6855	16.537	2	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:Si-4:	C(CCHN)(CCHO)(OSi)(H)	C(CCHO)2(NH)(H)	O(CCCH)(SiC3)	C(CCHN)(CCHO)(OSi)(H)	C(CCHO)2(NH)(H)	O(CCCH)(SiC3)	106.9160	0.000	1	106.9160	0.000	1	106.9160	0.000	1	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	113.0960	0.000	1	113.0960	0.000	1	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]HH)(CCCH)	108.8020	4.394	2	108.8020	19.307	2	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	110.2940	0.000	1	110.2940	0.000	1	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(OH)(H)	O(CCCH)(CH3)	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(OH)(H)	O(CCCH)(CH3)	105.8185	1.698	4	105.8185	2.885	4	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OSi)(H)	O(CCCH)(CH3)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OSi)(H)	O(CCCH)(CH3)	111.0040	0.000	1	111.0040	0.000	1	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]HH)(CCCH)	105.5580	0.000	1	105.5580	0.000	1	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHN)(CCHO)(OSi)(H)	O(CCCH)(CC3)	C(CCHO)(CHHO)(OC)(H)	C(CCHN)(CCHO)(OSi)(H)	O(CCCH)(CC3)	106.4900	0.000	1	106.4900	0.000	1	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(CH3)	107.4655	2.810	4	107.4655	7.896	4	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OH)(H)	O(CCCH)(CHHO)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OH)(H)	O(CCCH)(CHHO)	107.9519	0.680	8	107.9519	0.463	8	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(CHHP)(OC)(H)	C(CCHO)(CHHP)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(CHHP)(OC)(H)	C(CCHO)(CHHP)(OC)(H)	O(CC[6a]HH)(CCCH)	109.2520	3.642	2	109.2520	13.261	2	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(CHOP)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(CHOP)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]HH)(CCCH)	109.7710	0.901	2	109.7710	0.812	2	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(CHOS)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(CHOS)(OC)(H)	C(CCHO)2(OC)(H)	O(CC[6a]HH)(CCCH)	108.4400	0.000	1	108.4400	0.000	1	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)2(OC)(H)	C(CCCH)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)2(OC)(H)	C(CCCH)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	110.1305	1.667	2	110.1305	2.778	2	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)2	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)2	108.8080	0.000	1	108.8080	0.000	1	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	106.1730	0.000	1	106.1730	0.000	1	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OH)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OH)(H)	O(CC[6a]HH)(CCCH)	112.5140	0.000	1	112.5140	0.000	1	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)2(OC)(H)	C(CCHN)(CCHO)(OH)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)2(OC)(H)	C(CCHN)(CCHO)(OH)(H)	O(CC[6a]HH)(CCCH)	108.0600	0.000	1	108.0600	0.000	1	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CC3)(OH)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)2(OC)(H)	C(CCHO)(CC3)(OH)(H)	O(CC[6a]HH)(CCCH)	106.3920	0.000	1	106.3920	0.000	1	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	O(CC[6a]HH)(CCCH)	107.2817	0.418	3	107.2817	0.175	3	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OH)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OH)(H)	O(CC[6a]HH)(CCCH)	107.0020	0.000	1	107.0020	0.000	1	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CHOP)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)2(OC)(H)	C(CCHO)(CHOP)(OC)(H)	O(CC[6a]HH)(CCCH)	111.1835	0.194	2	111.1835	0.038	2	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CHOS)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)2(OC)(H)	C(CCHO)(CHOS)(OC)(H)	O(CC[6a]HH)(CCCH)	109.4610	0.000	1	109.4610	0.000	1	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)2(OC)(H)	C(CC[6a]HH)(CCHO)(OSi)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)2(OC)(H)	C(CC[6a]HH)(CCHO)(OSi)(H)	O(CC[6a]HH)(CCCH)	111.9050	0.000	1	111.9050	0.000	1	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[5]HH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OSi)(H)	O(CCCH)(CH3)	C(CC[5]HH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OSi)(H)	O(CCCH)(CH3)	110.1390	0.000	1	110.1390	0.000	1	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OS)(H)	O(CC[6a]HH)(CCCH)	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OS)(H)	O(CC[6a]HH)(CCCH)	110.6238	1.407	4	110.6238	1.981	4	108.6397	5.242	48	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:S-4:	C(CCHO)(CHHO)(OS)(H)	C(CC[5]HO)(CCHO)(OC)(H)	O(CCCH)(SCOO)	C(CCHO)(CHHO)(OS)(H)	C(CC[5]HO)(CCHO)(OC)(H)	O(CCCH)(SCOO)	105.3092	0.689	4	105.3092	0.475	4	105.8720	1.940	5	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:S-4:	C(CCHO)(CHOP)(OS)(H)	C(CCHO)(CHHN)(OSi)(H)	O(CCCH)(SCOO)	C(CCHO)(CHOP)(OS)(H)	C(CCHO)(CHHN)(OSi)(H)	O(CCCH)(SCOO)	108.1230	0.000	1	108.1230	0.000	1	105.8720	1.940	5	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C(CCHH)(CCHO)(OSi)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(SiC3)	C(CCHH)(CCHO)(OSi)(H)	C(CCHH)(CCHO)(OC)(H)	O(CCCH)(SiC3)	109.4790	0.000	1	109.4790	0.000	1	108.9950	1.123	7	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C(CCHH)(CCHO)(OSi)(H)	C(CC[5]HH)(CCHO)(OC)(H)	O(CCCH)(SiC3)	C(CCHH)(CCHO)(OSi)(H)	C(CC[5]HH)(CCHO)(OC)(H)	O(CCCH)(SiC3)	108.2650	0.000	1	108.2650	0.000	1	108.9950	1.123	7	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C(CCHN)(CCHO)(OSi)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(SiC3)	C(CCHN)(CCHO)(OSi)(H)	C(CCHO)(CHHO)(OC)(H)	O(CCCH)(SiC3)	110.5920	0.000	1	110.5920	0.000	1	108.9950	1.123	7	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C(CCHO)(CH3)(OSi)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(SiC3)	C(CCHO)(CH3)(OSi)(H)	C(CCHH)(CCHO)(OH)(H)	O(CCCH)(SiC3)	108.6240	0.000	1	108.6240	0.000	1	108.9950	1.123	7	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C(CCHO)(CHHN)(OSi)(H)	C(CCHO)(CHOP)(OS)(H)	O(CCCH)(SiC3)	C(CCHO)(CHHN)(OSi)(H)	C(CCHO)(CHOP)(OS)(H)	O(CCCH)(SiC3)	109.7330	0.000	1	109.7330	0.000	1	108.9950	1.123	7	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C(CCHO)2(OSi)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(SiC3)	C(CCHO)2(OSi)(H)	C(CCHN)(CCHO)(OH)(H)	O(CCCH)(SiC3)	107.3410	0.000	1	107.3410	0.000	1	108.9950	1.123	7	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C(CCHO)2(OSi)(H)	C(CCHO)2(OH)(H)	O(CCCH)(SiC3)	C(CCHO)2(OSi)(H)	C(CCHO)2(OH)(H)	O(CCCH)(SiC3)	108.9310	0.000	1	108.9310	0.000	1	108.9950	1.123	7	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	P-4:C-4:	C(CCHO)(CH3)(OP)(H)	C(CCHO)(CH3)(OP)(H)	O(PPdNN)(CCCH)	C(CCHO)(CH3)(OP)(H)	C(CCHO)(CH3)(OP)(H)	O(PPdNN)(CCCH)	109.5305	0.474	2	109.5305	0.225	2	109.5305	0.225	2	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	S-4:C-4:	C(CCHH)(CCHO)(OS)(H)	C(CCHN)(CCHO)(OH)(H)	O(SC[6a]OO)(CCCH)	C(CCHH)(CCHO)(OS)(H)	C(CCHN)(CCHO)(OH)(H)	O(SC[6a]OO)(CCCH)	104.3500	0.000	1	104.3500	0.000	1	104.3500	0.000	1	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C(CCHH)(CCHO)(OSi)(H)	C(CCHH)(CCHO)(OH)(H)	O(SiC[6a]2C)(CCCH)	C(CCHH)(CCHO)(OSi)(H)	C(CCHH)(CCHO)(OH)(H)	O(SiC[6a]2C)(CCCH)	108.3320	0.000	1	108.3320	0.000	1	106.9355	3.900	2	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C(CC[6a]HH)(CCHO)(OSi)(H)	C(CCHO)2(OC)(H)	O(SiSi3)(CCCH)	C(CC[6a]HH)(CCHO)(OSi)(H)	C(CCHO)2(OC)(H)	O(SiSi3)(CCCH)	105.5390	0.000	1	105.5390	0.000	1	106.9355	3.900	2	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:P-4:O-2:H-1:	C-4:C-4:	C(CCHO)(CHOP)(OC)(H)	C(CCHO)(PO3)(OH)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(CHOP)(OC)(H)	C(CCHO)(PO3)(OH)(H)	O(CC[6a]HH)(CCCH)	109.1435	2.054	2	109.1435	4.220	2	109.1435	4.220	2	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:P-4:O-2:H-1:	C-4:S-4:	C(CCHO)(CHOP)(OS)(H)	C(CCHO)(PO3)(OH)(H)	O(CCCH)(SCOO)	C(CCHO)(CHOP)(OS)(H)	C(CCHO)(PO3)(OH)(H)	O(CCCH)(SCOO)	105.6320	0.000	1	105.6320	0.000	1	105.6320	0.000	1	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[4]HO)(CH3)(OC)(H)	C(C[4]C[4,5]C[4]H)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CC[4]HO)(CH3)(OC)(H)	C(C[4]C[4,5]C[4]H)(CCHO)(OC)(H)	O(CC[6a]HH)(CCCH)	107.6590	0.000	1	107.6590	0.000	1	107.6590	0.000	1	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	O(CC[6a]HH)(CCCH)	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	O(CC[6a]HH)(CCCH)	105.9218	1.197	4	105.9218	1.432	4	105.9218	1.432	4	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CHHO)(OH)(H)	O(CC[6a]HH)(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CHHO)(OH)(H)	O(CC[6a]HH)(CC[5]CH)	109.7985	0.349	2	109.7985	0.122	2	109.4371	4.839	9	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CC[6a]HH)(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHO)(OH)(H)	O(CC[6a]HH)(CC[5]CH)	107.9105	0.883	2	107.9105	0.780	2	109.4371	4.839	9	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CC[6]HH)(OH)(H)	O(CC[5]CH)(CHHO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CC[6]HH)(OH)(H)	O(CC[5]CH)(CHHO)	106.3620	0.000	1	106.3620	0.000	1	109.4371	4.839	9	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CH3)(OC)(H)	O(CC[5]CH)(CH3)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CH3)(OC)(H)	O(CC[5]CH)(CH3)	110.7885	2.319	4	110.7885	5.376	4	109.4371	4.839	9	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	C(CC[5]HO)(CHHO)(OH)(H)	O(CC[5]CH)(SiC3)	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	C(CC[5]HO)(CHHO)(OH)(H)	O(CC[5]CH)(SiC3)	113.6085	1.672	2	113.6085	2.797	2	110.7813	25.377	3	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	C(CC[5]HO)(CCCH)(OH)(H)	O(CC[5]CH)(SiC3)	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	C(CC[5]HO)(CCCH)(OH)(H)	O(CC[5]CH)(SiC3)	105.1270	0.000	1	105.1270	0.000	1	110.7813	25.377	3	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:C-4:	C(C[6]C[6]2H)(CCHN)(OC)(H)	C(CC[6a]HH)(CC[6]HO)(NN)(H)	O(CC[6a]HH)(CC[6]CH)	C(C[6]C[6]2H)(CCHN)(OC)(H)	C(CC[6a]HH)(CC[6]HO)(NN)(H)	O(CC[6a]HH)(CC[6]CH)	105.3620	0.737	2	105.3620	0.543	2	105.3620	0.543	2	108.3763	5.899	90	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)(COO)(H)	O(CCCH)(H)	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)(COO)(H)	O(CCCH)(H)	112.0790	0.000	1	112.0790	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCCO)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(H)	C(CCCH)(CCCO)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(H)	111.2120	0.000	1	111.2120	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(CCC)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(CCC)(H)	O(CCCH)(H)	112.4260	0.000	1	112.4260	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CCO)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CCO)(H)	O(CCCH)(H)	107.5080	0.000	1	107.5080	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CNO)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CNO)(H)	O(CCCH)(H)	106.9847	3.166	3	106.9847	10.026	3	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(COO)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(COO)(H)	O(CCCH)(H)	108.7512	0.559	4	108.7512	0.313	4	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(H)	110.4030	0.000	1	110.4030	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(H)	109.5793	1.606	3	109.5793	2.580	3	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCS)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCS)(H)	O(CCCH)(H)	106.6780	0.000	1	106.6780	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(COO)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(COO)(H)	O(CCCH)(H)	106.3400	0.000	1	106.3400	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(H)	110.7150	0.404	2	110.7150	0.164	2	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CH3)(CNO)(H)	O(CCCH)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CH3)(CNO)(H)	O(CCCH)(H)	109.3150	0.000	1	109.3150	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCHO)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(H)	109.9160	2.420	5	109.9160	5.854	5	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CH3)(OH)(H)	C(CCHO)(CCHS)(CNO)(H)	O(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CCHO)(CCHS)(CNO)(H)	O(CCCH)(H)	104.0870	0.000	1	104.0870	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CH3)(OH)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	O(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	O(CCCH)(H)	110.4460	0.000	1	110.4460	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CH3)(OH)(H)	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	O(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	O(CCCH)(H)	110.3730	0.000	1	110.3730	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HN)(CCHO)(CNO)(H)	O(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HN)(CCHO)(CNO)(H)	O(CCCH)(H)	111.4725	0.383	2	111.4725	0.146	2	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HS)(CCHO)(CNO)(H)	O(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HS)(CCHO)(CNO)(H)	O(CCCH)(H)	108.4820	0.000	1	108.4820	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)2(OH)(H)	C(CCCH)(CCHO)(CCS)(H)	O(CCCH)(H)	C(CCCH)2(OH)(H)	C(CCCH)(CCHO)(CCS)(H)	O(CCCH)(H)	107.5890	0.000	1	107.5890	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCC)(H)	O(CCCH)(H)	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCC)(H)	O(CCCH)(H)	110.6930	0.000	1	110.6930	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(H)	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(H)	107.2991	1.495	14	107.2991	2.234	14	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(H)	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(H)	109.2409	1.817	10	109.2409	3.302	10	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCS)(H)	O(CCCH)(H)	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCS)(H)	O(CCCH)(H)	107.7818	1.415	4	107.7818	2.002	4	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CC[5]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(H)	C(CC[5]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(H)	111.2330	1.578	2	111.2330	2.491	2	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CC[5]HO)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(H)	C(CC[5]HO)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(H)	108.3460	0.000	1	108.3460	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CC[5]HO)(CCCH)(OH)(H)	C(CCHO)(CH3)(COO)(H)	O(CCCH)(H)	C(CC[5]HO)(CCCH)(OH)(H)	C(CCHO)(CH3)(COO)(H)	O(CCCH)(H)	109.0760	0.000	1	109.0760	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CC[6]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(H)	107.1310	0.000	1	107.1310	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CC[6]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(H)	108.3975	2.147	2	108.3975	4.612	2	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CC[6a]HO)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(H)	C(CC[6a]HO)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(H)	111.8340	0.000	1	111.8340	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CN[5]HH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CNO)(H)	O(CCCH)(H)	C(CN[5]HH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CNO)(H)	O(CCCH)(H)	112.4640	0.000	1	112.4640	0.000	1	108.8588	4.549	70	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	O(CCCH)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	O(CCCH)(H)	111.9180	0.000	1	111.9180	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCFH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	O(CCCH)(H)	C(CCFH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	O(CCCH)(H)	110.2220	0.000	1	110.2220	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	O(CCCH)(H)	C(CCHH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	O(CCCH)(H)	107.3280	0.978	3	107.3280	0.956	3	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	O(CCCH)(H)	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	O(CCCH)(H)	109.7830	0.000	1	109.7830	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	O(CCCH)(H)	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	O(CCCH)(H)	107.7654	1.610	5	107.7654	2.593	5	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NHH)(H)	O(CCCH)(H)	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NHH)(H)	O(CCCH)(H)	110.3880	2.062	2	110.3880	4.252	2	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CC3)(OH)(H)	C(CCHH)(CCHO)(NCH)(H)	O(CCCH)(H)	C(CCHN)(CC3)(OH)(H)	C(CCHH)(CCHO)(NCH)(H)	O(CCCH)(H)	107.7790	0.000	1	107.7790	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	O(CCCH)(H)	112.5550	0.000	1	112.5550	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	O(CCCH)(H)	108.9940	1.962	3	108.9940	3.851	3	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCH)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCH)(H)	O(CCCH)(H)	107.7025	1.471	2	107.7025	2.165	2	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CHHO)(NCH)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CHHO)(NCH)(H)	O(CCCH)(H)	107.3410	0.000	1	107.3410	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	O(CCCH)(H)	111.5830	0.000	1	111.5830	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	O(CCCH)(H)	108.7470	2.080	2	108.7470	4.328	2	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(CHHO)(NCC)(H)	O(CCCH)(H)	C(CCHN)(CH3)(OH)(H)	C(CCHO)(CHHO)(NCC)(H)	O(CCCH)(H)	107.3630	0.000	1	107.3630	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CHHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	O(CCCH)(H)	C(CCHN)(CHHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	O(CCCH)(H)	110.2850	0.853	3	110.2850	0.727	3	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CHHO)(OH)(H)	C(CCHN)(CCHO)(NCC)(H)	O(CCCH)(H)	C(CCHN)(CHHO)(OH)(H)	C(CCHN)(CCHO)(NCC)(H)	O(CCCH)(H)	111.1670	0.000	1	111.1670	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CHHO)(OH)(H)	C(CCHO)(CHHO)(NCH)(H)	O(CCCH)(H)	C(CCHN)(CHHO)(OH)(H)	C(CCHO)(CHHO)(NCH)(H)	O(CCCH)(H)	110.5580	0.000	1	110.5580	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CHHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	O(CCCH)(H)	C(CCHN)(CHHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	O(CCCH)(H)	109.6870	0.000	1	109.6870	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	O(CCCH)(H)	C(CCHN)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	O(CCCH)(H)	107.9300	0.000	1	107.9300	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	O(CCCH)(H)	C(CCHN)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	O(CCCH)(H)	108.5440	0.000	1	108.5440	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)2(OH)(H)	C(CCHO)(CHOO)(NOO)(H)	O(CCCH)(H)	C(CCHN)2(OH)(H)	C(CCHO)(CHOO)(NOO)(H)	O(CCCH)(H)	107.8920	0.000	1	107.8920	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)2(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	O(CCCH)(H)	C(CCHN)2(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	O(CCCH)(H)	107.3250	0.000	1	107.3250	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	O(CCCH)(H)	C(CC[6a]HH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	O(CCCH)(H)	110.0760	0.000	1	110.0760	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CN[6]HH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	O(CCCH)(H)	C(CN[6]HH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	O(CCCH)(H)	111.7850	0.337	2	111.7850	0.113	2	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CSeCC)(CCHN)(OH)(H)	C(CCHO)(CH3)(NCC)(H)	O(CCCH)(H)	C(CSeCC)(CCHN)(OH)(H)	C(CCHO)(CH3)(NCC)(H)	O(CCCH)(H)	108.6270	0.000	1	108.6270	0.000	1	109.1344	3.330	39	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(NCHH)(CCH)(H)	O(CCCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(NCHH)(CCH)(H)	O(CCCH)(H)	107.4930	0.000	1	107.4930	0.000	1	105.4260	7.847	30	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(NH3)(CNO)(H)	O(CCCH)(H)	C(CCHN)(CH3)(OH)(H)	C(CCHO)(NH3)(CNO)(H)	O(CCCH)(H)	108.4160	0.000	1	108.4160	0.000	1	105.4260	7.847	30	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(NH3)(COO)(H)	O(CCCH)(H)	C(CCHN)(CH3)(OH)(H)	C(CCHO)(NH3)(COO)(H)	O(CCCH)(H)	105.2454	2.812	28	105.2454	7.905	28	105.4260	7.847	30	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:	C(CC[6]CH)(CHHO)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CCH)(H)	O(CCCH)(H)	C(CC[6]CH)(CHHO)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CCH)(H)	O(CCCH)(H)	110.8510	0.000	1	110.8510	0.000	1	110.8510	0.000	1	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:O-2:H-1:	N-4:C-4:C-3:H-1:	C-4:H-1:	C(CCHN)(CH3)(OH)(H)	C(NCuHH)(CCHO)(COO)(H)	O(CCCH)(H)	C(CCHN)(CH3)(OH)(H)	C(NCuHH)(CCHO)(COO)(H)	O(CCCH)(H)	109.8320	0.571	2	109.8320	0.326	2	109.8320	0.326	2	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C-4:P-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(PO3)(OH)(H)	C(CC[6a]HH)(CHOP)(NCC)(H)	O(CCHP)(H)	C(CCHN)(PO3)(OH)(H)	C(CC[6a]HH)(CHOP)(NCC)(H)	O(CCHP)(H)	110.4720	0.000	1	110.4720	0.000	1	110.4720	0.000	1	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[3]C[3]O[3]C)(CCCH)(OH)(H)	C(CC[3]HO)(CHHO)(CCO)(H)	O(CC[3]CH)(H)	C(C[3]C[3]O[3]C)(CCCH)(OH)(H)	C(CC[3]HO)(CHHO)(CCO)(H)	O(CC[3]CH)(H)	110.5550	0.000	1	110.5550	0.000	1	112.0785	4.642	2	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	C(CC[3]HO)(CCHH)(CCC)(H)	O(CC[3]CH)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	C(CC[3]HO)(CCHH)(CCC)(H)	O(CC[3]CH)(H)	113.6020	0.000	1	113.6020	0.000	1	112.0785	4.642	2	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[5]C[5]2C)(CCCH)(OH)(H)	C(CC[5]HO)(CCHH)(CCC)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2C)(CCCH)(OH)(H)	C(CC[5]HO)(CCHH)(CCC)(H)	O(CC[5]CH)(H)	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CC[5]HO)(CCHH)(NOO)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CC[5]HO)(CCHH)(NOO)(H)	O(CC[5]CH)(H)	107.9910	0.000	1	107.9910	0.000	1	107.9910	0.000	1	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6]HO)(CH3)(CCH)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6]HO)(CH3)(CCH)(H)	O(CC[6]CH)(H)	109.7843	0.470	4	109.7843	0.221	4	109.1778	2.004	5	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(CCO)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(CCO)(H)	O(CC[6]CH)(H)	106.7520	0.000	1	106.7520	0.000	1	109.1778	2.004	5	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCHN)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCHN)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	O(CC[6]CH)(H)	106.1770	0.000	1	106.1770	0.000	1	106.1770	0.000	1	108.3265	6.791	153	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:Br-1:	C-4:C-4:	C(CBrCC)(CCCH)(OC)(H)	C(CCHO)(CH3)(COO)(Br)	O(CC[6a]HH)(CCCH)	C(CBrCC)(CCCH)(OC)(H)	C(CCHO)(CH3)(COO)(Br)	O(CC[6a]HH)(CCCH)	101.7230	0.000	1	101.7230	0.000	1	101.7230	0.000	1	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(CH3)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(CH3)	110.6883	0.867	3	110.6883	0.752	3	108.7664	5.885	11	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(CH3)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	O(CCCH)(CH3)	109.4980	0.000	1	109.4980	0.000	1	108.7664	5.885	11	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(CCCH)(CH3)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(CH3)	C(CCCH)(CH3)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(CH3)	112.1240	0.000	1	112.1240	0.000	1	108.7664	5.885	11	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(CH3)(CCC)(H)	O(CCCH)(CH3)	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(CH3)(CCC)(H)	O(CCCH)(CH3)	106.8110	0.000	1	106.8110	0.000	1	108.7664	5.885	11	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(CH3)	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(CH3)	109.1925	0.457	2	109.1925	0.209	2	108.7664	5.885	11	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(COO)(H)	O(CCCH)(CH3)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(COO)(H)	O(CCCH)(CH3)	105.8490	1.505	3	105.8490	2.264	3	108.7664	5.885	11	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:S-4:	C(CCCH)(CH3)(OS)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	O(CCCH)(SCOO)	C(CCCH)(CH3)(OS)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	O(CCCH)(SCOO)	106.9690	0.417	2	106.9690	0.174	2	106.9690	0.174	2	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:Si-4:	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(SiC3)	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(CCH)(H)	O(CCCH)(SiC3)	108.0870	0.000	1	108.0870	0.000	1	107.8196	2.313	5	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:Si-4:	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(CCS)(H)	O(CCCH)(SiC3)	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(CCS)(H)	O(CCCH)(SiC3)	106.9517	0.855	3	106.9517	0.732	3	107.8196	2.313	5	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:Si-4:	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(COO)(H)	O(CCCH)(SiC3)	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(COO)(H)	O(CCCH)(SiC3)	110.1560	0.000	1	110.1560	0.000	1	107.8196	2.313	5	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	Si-4:C-4:	C(CC[6a]CH)(CCCH)(OSi)(H)	C(CCHO)(CH3)(CCC)(H)	O(SiCCO)(CCCH)	C(CC[6a]CH)(CCCH)(OSi)(H)	C(CCHO)(CH3)(CCC)(H)	O(SiCCO)(CCCH)	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(CCHH)(CCHN)(OC)(H)	C(CCCH)(CCHO)(NCC)(H)	O(CCCH)(CH3)	C(CCHH)(CCHN)(OC)(H)	C(CCCH)(CCHO)(NCC)(H)	O(CCCH)(CH3)	110.3850	0.000	1	110.3850	0.000	1	108.6180	4.125	3	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(CCHH)(CCHN)(OC)(H)	C(CCHO)(CH3)(NHS)(H)	O(CC[6a]HH)(CCCH)	C(CCHH)(CCHN)(OC)(H)	C(CCHO)(CH3)(NHS)(H)	O(CC[6a]HH)(CCCH)	106.3990	0.000	1	106.3990	0.000	1	108.6180	4.125	3	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(CCHN)(CCHO)(OC)(H)	C(CCHO)(CHHO)(NCC)(H)	O(CC[6a]HH)(CCCH)	C(CCHN)(CCHO)(OC)(H)	C(CCHO)(CHHO)(NCC)(H)	O(CC[6a]HH)(CCCH)	109.0700	0.000	1	109.0700	0.000	1	108.6180	4.125	3	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-3:H-1:	C-4:C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OFeC)(H)	O(CCCH)(CCHH)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OFeC)(H)	O(CCCH)(CCHH)	113.9555	0.466	2	113.9555	0.217	2	113.9555	0.217	2	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:	C(CC[6]HH)(CCHN)(OC)(H)	C(CCHO)(NH3)(COO)(H)	O(CCCH)(CH3)	C(CC[6]HH)(CCHN)(OC)(H)	C(CCHO)(NH3)(COO)(H)	O(CCCH)(CH3)	109.8410	0.000	1	109.8410	0.000	1	109.8410	0.000	1	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:P-4:	C(CCHN)(CH3)(OP)(H)	C(CCHO)(NH3)(COO)(H)	O(CCCH)(PO3)	C(CCHN)(CH3)(OP)(H)	C(CCHO)(NH3)(COO)(H)	O(CCCH)(PO3)	104.3775	0.513	2	104.3775	0.263	2	104.3775	0.263	2	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:Si-4:	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	C(CC[3]HO)(CHHS)(CCC)(H)	O(CC[3]CH)(SiC3)	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	C(CC[3]HO)(CHHS)(CCC)(H)	O(CC[3]CH)(SiC3)	109.2110	0.997	2	109.2110	0.994	2	109.2110	0.994	2	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)(CNO)(H)	O(CC[5]CH)(CH3)	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)(CNO)(H)	O(CC[5]CH)(CH3)	109.0960	0.000	1	109.0960	0.000	1	109.0960	0.000	1	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	C(C[5]C[5]2H)(CC[5]HO)(NCH)(H)	O(CC[6a]HH)(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	C(C[5]C[5]2H)(CC[5]HO)(NCH)(H)	O(CC[6a]HH)(CC[5]CH)	106.6295	0.080	2	106.6295	0.006	2	106.6295	0.006	2	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(C[6]C[6]2H)(CCCH)(OC)(H)	C(CC[6]HO)(CCCH)(CCH)(H)	O(CC[6]CH)(CH3)	C(C[6]C[6]2H)(CCCH)(OC)(H)	C(CC[6]HO)(CCCH)(CCH)(H)	O(CC[6]CH)(CH3)	107.1590	0.000	1	107.1590	0.000	1	107.1590	0.000	1	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:Si-4:	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CC[6]HO)(CH3)(CCH)(H)	O(CC[6]CH)(SiC3)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CC[6]HO)(CH3)(CCH)(H)	O(CC[6]CH)(SiC3)	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:	C(C[6]C[6]2H)(CCHN)(OC)(H)	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	O(CC[6a]HH)(CC[6]CH)	C(C[6]C[6]2H)(CCHN)(OC)(H)	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	O(CC[6a]HH)(CC[6]CH)	105.9550	0.000	1	105.9550	0.000	1	105.9550	0.000	1	108.2520	7.043	36	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C(CCCH)(CCCO)(OH)(H)	C(CCHH)(CCHO)(COO)(OH)	O(CCCH)(H)	C(CCCH)(CCCO)(OH)(H)	C(CCHH)(CCHO)(COO)(OH)	O(CCCH)(H)	108.1310	0.000	1	108.1310	0.000	1	110.0943	4.414	6	110.0943	4.414	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C(CCCH)(CCCO)(OH)(H)	C(CCHO)(CH3)(CCH)(OH)	O(CCCH)(H)	C(CCCH)(CCCO)(OH)(H)	C(CCHO)(CH3)(CCH)(OH)	O(CCCH)(H)	110.2495	3.877	2	110.2495	15.032	2	110.0943	4.414	6	110.0943	4.414	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CBrCH)(CCHO)(COO)(OH)	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(CBrCH)(CCHO)(COO)(OH)	O(CCCH)(H)	111.8620	0.000	1	111.8620	0.000	1	110.0943	4.414	6	110.0943	4.414	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C(CCCO)(CH3)(OH)(H)	C(CCHO)(CH3)(CNO)(OH)	O(CCCH)(H)	C(CCCO)(CH3)(OH)(H)	C(CCHO)(CH3)(CNO)(OH)	O(CCCH)(H)	109.9890	0.000	1	109.9890	0.000	1	110.0943	4.414	6	110.0943	4.414	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C(CC[6]HH)(CCCO)(OH)(H)	C(CCHO)(CH3)(CCH)(OH)	O(CCCH)(H)	C(CC[6]HH)(CCCO)(OH)(H)	C(CCHO)(CH3)(CCH)(OH)	O(CCCH)(H)	110.0850	0.000	1	110.0850	0.000	1	110.0943	4.414	6	110.0943	4.414	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:2:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:Si-4:	C(CCCO)(CCHO)(OSi)(H)	C(CCCO)(CCHO)(COO)(OSi)	O(CCCH)(SiC3)	C(CCCO)(CCHO)(OSi)(H)	C(CCCO)(CCHO)(COO)(OSi)	O(CCCH)(SiC3)	113.9390	0.000	1	113.9390	0.000	1	113.9390	0.000	1	109.6635	36.560	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:2:	4:4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:Si-4:	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	C(CC[3]HO)(CH3)(CCC)(OH)	O(CC[3]CH)(SiC3)	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	C(CC[3]HO)(CH3)(CCC)(OH)	O(CC[3]CH)(SiC3)	105.3880	0.000	1	105.3880	0.000	1	105.3880	0.000	1	109.6635	36.560	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:3:3:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:	C(CCCN)(CH3)(OH)(H)	C(CC[5a]CH)(CCHO)(CCO)(NCH)	O(CCCH)(H)	C(CCCN)(CH3)(OH)(H)	C(CC[5a]CH)(CCHO)(CCO)(NCH)	O(CCCH)(H)	111.8160	0.000	1	111.8160	0.000	1	111.8160	0.000	1	111.8160	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:Br-1:	C-4:H-1:	C(CBrCC)(CBrHH)(OH)(H)	C(CClCH)(CCHO)(CH3)(Br)	O(CCCH)(H)	C(CBrCC)(CBrHH)(OH)(H)	C(CClCH)(CCHO)(CH3)(Br)	O(CCCH)(H)	107.4580	0.000	1	107.4580	0.000	1	107.4580	0.000	1	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:F-1:	C-4:H-1:	C(CC[6a]HN)(CCCF)(OH)(H)	C(CCHO)(CH3)2(F)	O(CCCH)(H)	C(CC[6a]HN)(CCCF)(OH)(H)	C(CCHO)(CH3)2(F)	O(CCCH)(H)	108.5720	0.000	2	108.5720	0.000	2	108.5720	0.000	2	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CB[5]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	C(CB[5]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	107.8180	0.000	1	107.8180	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	O(CCCH)(H)	107.5040	0.000	1	107.5040	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CC3)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	C(CCCH)(CC3)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	112.9465	0.004	2	112.9465	0.000	2	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCCO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCCO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	111.1237	2.119	3	111.1237	4.489	3	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	107.5790	1.951	11	107.5790	3.806	11	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCHS)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCHS)(CH3)(H)	O(CCCH)(H)	108.7125	3.483	2	108.7125	12.128	2	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	109.6490	0.000	1	109.6490	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHN)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHN)(CH3)(H)	O(CCCH)(H)	108.1750	0.000	1	108.1750	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	O(CCCH)(H)	110.1140	0.000	1	110.1140	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	108.5266	2.166	7	108.5266	4.692	7	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)2(CHHO)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)2(CHHO)(H)	O(CCCH)(H)	111.7100	0.000	1	111.7100	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CC[6]HO)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CC[6]HO)(CCHO)(CH3)(H)	O(CCCH)(H)	110.4140	0.000	1	110.4140	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]HO)(CSiHH)(CCHO)(H)	O(CCCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]HO)(CSiHH)(CCHO)(H)	O(CCCH)(H)	110.1310	0.000	1	110.1310	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHN)(OH)(H)	C(CCCO)(CCHO)(CHHO)(H)	O(CCCH)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCO)(CCHO)(CHHO)(H)	O(CCCH)(H)	112.1800	0.000	1	112.1800	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	108.8120	0.000	1	108.8120	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	O(CCCH)(H)	111.2310	0.000	1	111.2310	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	110.4850	0.000	1	110.4850	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CHHO)(H)	O(CCCH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CHHO)(H)	O(CCCH)(H)	109.9620	0.000	1	109.9620	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CH3)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	108.2230	0.000	1	108.2230	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CH3)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	114.0500	0.000	1	114.0500	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CH3)(OH)(H)	C(CC[5a]HN)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CC[5a]HN)(CCHO)(CH3)(H)	O(CCCH)(H)	110.7720	0.000	1	110.7720	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	O(CCCH)(H)	109.7740	0.000	1	109.7740	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CHHO)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	C(CCCH)(CHHO)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	112.0310	0.386	2	112.0310	0.149	2	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CHHO)(OH)(H)	C(CC[6a]SiH)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)(CHHO)(OH)(H)	C(CC[6a]SiH)(CCHO)(CH3)(H)	O(CCCH)(H)	113.1110	0.000	1	113.1110	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CHHS)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	C(CCCH)(CHHS)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	112.4555	0.267	2	112.4555	0.071	2	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CHHS)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	C(CCCH)(CHHS)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	111.3273	2.945	3	111.3273	8.672	3	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)2(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)2(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	O(CCCH)(H)	107.9960	0.000	1	107.9960	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)2(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	109.1554	2.047	9	109.1554	4.192	9	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	C(CCCH)2(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	109.4794	1.894	9	109.4794	3.587	9	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)2(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	O(CCCH)(H)	108.1624	2.040	5	108.1624	4.160	5	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	C(CCCH)2(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	109.6328	1.952	50	109.6328	3.811	50	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)2(OH)(H)	C(CC[3]HO)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CCCH)2(OH)(H)	C(CC[3]HO)(CCHO)(CH3)(H)	O(CCCH)(H)	108.1910	0.436	2	108.1910	0.190	2	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[3]HH)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	C(CC[3]HH)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	112.6800	0.000	1	112.6800	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[4]CC)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	C(CC[4]CC)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	111.6590	0.000	1	111.6590	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]HH)(CCCH)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	C(CC[5]HH)(CCCH)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	108.0440	0.000	1	108.0440	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6]CH)(CCCH)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(H)	110.2900	0.000	1	110.2900	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6]HO)(CCCH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[6]HO)(CCCH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	111.0230	0.000	1	111.0230	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	C(CC[6a]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(H)	107.8450	0.000	1	107.8450	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]HH)(CCCH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[6a]HH)(CCCH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(H)	107.4260	0.000	1	107.4260	0.000	1	109.5513	4.532	133	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[3x6]-4:C-4:N-4:H-1:	C-4:H-1:	C(CC[3x6]HN)(CHHO)(OH)(H)	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	O(CCCH)(H)	C(CC[3x6]HN)(CHHO)(OH)(H)	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	O(CCCH)(H)	109.3090	0.000	1	109.3090	0.000	1	109.3090	0.000	1	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[5,6]CH)(CC3)(OH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[5,6]CH)(CC3)(OH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	O(CCCH)(H)	110.2986	1.996	8	110.2986	3.986	8	110.2986	3.986	8	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]CH)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[5]CH)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	O(CCCH)(H)	106.5545	2.164	2	106.5545	4.685	2	109.2128	3.193	17	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]CH)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[5]CH)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	O(CCCH)(H)	109.3410	2.122	4	109.3410	4.502	4	109.2128	3.193	17	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]CH)(CCHO)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[5]CH)(CCHO)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	O(CCCH)(H)	108.9190	0.000	1	108.9190	0.000	1	109.2128	3.193	17	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CCHO)(CH3)(H)	O(CCCH)(H)	109.8273	1.371	9	109.8273	1.879	9	109.2128	3.193	17	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(CC[5]CH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[6a]CH)(CC[5]CH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	O(CCCH)(H)	108.7800	0.000	1	108.7800	0.000	1	109.2128	3.193	17	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6]CH)(CCCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	O(CCCH)(H)	110.6303	1.605	3	110.6303	2.576	3	110.0496	7.373	5	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6]CH)(CCCH)(OH)(H)	C(C[6]S[6]2H)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(C[6]S[6]2H)(CCHO)(CH3)(H)	O(CCCH)(H)	105.8760	0.000	1	105.8760	0.000	1	110.0496	7.373	5	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6]CH)(CH3)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	O(CCCH)(H)	C(CC[6]CH)(CH3)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	O(CCCH)(H)	112.4810	0.000	1	112.4810	0.000	1	110.0496	7.373	5	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[3]B[5]C[3]N[3])(CCCH)(OH)(H)	C(CC[3]HO)(CH3)2(H)	O(CC[3]CH)(H)	C(C[3]B[5]C[3]N[3])(CCCH)(OH)(H)	C(CC[3]HO)(CH3)2(H)	O(CC[3]CH)(H)	106.5740	0.000	1	106.5740	0.000	1	110.4903	6.480	6	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[3]C[3]2C)(CCCH)(OH)(H)	C(CC[3]HO)(CH3)2(H)	O(CC[3]CH)(H)	C(C[3]C[3]2C)(CCCH)(OH)(H)	C(CC[3]HO)(CH3)2(H)	O(CC[3]CH)(H)	110.0340	0.000	1	110.0340	0.000	1	110.4903	6.480	6	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[3]C[3]2H)(CCCH)(OH)(H)	C(CC[3]HO)(CCHO)(CH3)(H)	O(CC[3]CH)(H)	C(C[3]C[3]2H)(CCCH)(OH)(H)	C(CC[3]HO)(CCHO)(CH3)(H)	O(CC[3]CH)(H)	112.6950	0.284	2	112.6950	0.081	2	110.4903	6.480	6	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[3]C[3]2O)(CCCH)(OH)(H)	C(CC[3]HO)(CH3)2(H)	O(CC[3]CH)(H)	C(C[3]C[3]2O)(CCCH)(OH)(H)	C(CC[3]HO)(CH3)2(H)	O(CC[3]CH)(H)	108.5940	0.000	1	108.5940	0.000	1	110.4903	6.480	6	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	C(CC[3]HO)(CCCH)(CCHH)(H)	O(CC[3]CH)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	C(CC[3]HO)(CCCH)(CCHH)(H)	O(CC[3]CH)(H)	112.3500	0.000	1	112.3500	0.000	1	110.4903	6.480	6	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[4,5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(OH)(H)	C(CC[4,5]HO)(CH3)2(H)	O(CC[4,5]CH)(H)	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(OH)(H)	C(CC[4,5]HO)(CH3)2(H)	O(CC[4,5]CH)(H)	112.3630	0.000	1	112.3630	0.000	1	112.3630	0.000	1	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[4,6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[4,6]C[4,6]C[5,6]N[4])(CCCH)(OH)(H)	C(CC[4,6]HO)(CH3)2(H)	O(CC[4,6]CH)(H)	C(C[4,6]C[4,6]C[5,6]N[4])(CCCH)(OH)(H)	C(CC[4,6]HO)(CH3)2(H)	O(CC[4,6]CH)(H)	111.7110	0.000	1	111.7110	0.000	1	111.7110	0.000	1	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:Cl-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	C(CC[5]HO)(CCHH)(CH3)(Cl)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	C(CC[5]HO)(CCHH)(CH3)(Cl)	O(CC[5]CH)(H)	111.5020	0.000	1	111.5020	0.000	1	111.5020	0.000	1	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CC[5]HO)(CCHH)(CH3)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CC[5]HO)(CCHH)(CH3)(H)	O(CC[5]CH)(H)	108.9417	1.478	4	108.9417	2.185	4	109.0163	1.739	7	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CC[5]HO)(CH3)2(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CC[5]HO)(CH3)2(H)	O(CC[5]CH)(H)	109.2960	0.000	1	109.2960	0.000	1	109.0163	1.739	7	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CC[5]HO)(CHHO)(CH3)(H)	O(CC[5]CH)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CC[5]HO)(CHHO)(CH3)(H)	O(CC[5]CH)(H)	110.4000	0.000	1	110.4000	0.000	1	109.0163	1.739	7	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C(CC[5]HO)(CH3)2(H)	O(CC[5]CH)(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C(CC[5]HO)(CH3)2(H)	O(CC[5]CH)(H)	107.6510	0.000	1	107.6510	0.000	1	109.0163	1.739	7	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	O(CC[5]CH)(H)	110.6933	0.969	3	110.6933	0.939	3	110.6933	0.939	3	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	O(CC[5]CH)(H)	111.9770	0.000	1	111.9770	0.000	1	111.9770	0.000	1	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6]HO)(CCHO)(CH3)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6]HO)(CCHO)(CH3)(H)	O(CC[6]CH)(H)	107.0530	0.000	1	107.0530	0.000	1	110.4932	7.840	6	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2S)(CCCH)(OH)(H)	C(CC[6]HO)(CHHO)(CH3)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2S)(CCCH)(OH)(H)	C(CC[6]HO)(CHHO)(CH3)(H)	O(CC[6]CH)(H)	113.0960	0.000	1	113.0960	0.000	1	110.4932	7.840	6	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	C(CC[6]HO)(CH3)2(H)	O(CC[6]CH)(H)	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	C(CC[6]HO)(CH3)2(H)	O(CC[6]CH)(H)	110.7025	2.609	4	110.7025	6.806	4	110.4932	7.840	6	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	O(CC[6]CH)(H)	109.4820	0.000	1	109.4820	0.000	1	110.0605	0.669	2	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	O(CC[6]CH)(H)	110.6390	0.000	1	110.6390	0.000	1	110.0605	0.669	2	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	O(CC[6]CH)(H)	107.1560	0.000	1	107.1560	0.000	1	107.1560	0.000	1	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:1:	P-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(PC[6a]OO)(CCCH)(OH)(H)	C(CHOP)(CH3)2(H)	O(CCHP)(H)	C(PC[6a]OO)(CCCH)(OH)(H)	C(CHOP)(CH3)2(H)	O(CCHP)(H)	109.2870	0.000	1	109.2870	0.000	1	109.2870	0.000	1	109.6381	4.331	197	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CBrCC)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	O(CC[6a]HH)(CCCH)	C(CBrCC)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	O(CC[6a]HH)(CCCH)	113.1730	0.000	1	113.1730	0.000	1	109.6998	3.813	31	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(CH3)(H)	O(CCCH)(CH3)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(CH3)(H)	O(CCCH)(CH3)	112.2190	0.000	1	112.2190	0.000	1	109.6998	3.813	31	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CH3)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CH3)	107.6650	0.000	1	107.6650	0.000	1	109.6998	3.813	31	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CHHO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CHHO)	109.9500	0.000	1	109.9500	0.000	1	109.6998	3.813	31	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)2(H)	O(CC[6a]HH)(CCCH)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)2(H)	O(CC[6a]HH)(CCCH)	110.4620	0.000	1	110.4620	0.000	1	109.6998	3.813	31	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(CHHO)(H)	O(CC[6a]HH)(CCCH)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(CHHO)(H)	O(CC[6a]HH)(CCCH)	108.0165	2.023	2	108.0165	4.093	2	109.6998	3.813	31	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(CHHN)(CH3)(H)	O(CCCH)(CCHH)	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(CHHN)(CH3)(H)	O(CCCH)(CCHH)	107.6500	0.000	1	107.6500	0.000	1	109.6998	3.813	31	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(CHHN)(CH3)(H)	O(CC[5a]HH)(CCCH)	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(CHHN)(CH3)(H)	O(CC[5a]HH)(CCCH)	109.2470	0.000	1	109.2470	0.000	1	109.6998	3.813	31	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(CH3)	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(CH3)	109.7380	0.669	3	109.7380	0.448	3	109.6998	3.813	31	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CH3)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(CH3)	108.5015	0.345	6	108.5015	0.119	6	109.6998	3.813	31	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)2(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CH3)	C(CCCH)2(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CH3)	108.6482	1.133	6	108.6482	1.284	6	109.6998	3.813	31	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CC[3]CH)(CCCH)(OC)(H)	C(CCHO)(CHHO)(CH3)(H)	O(CCCH)(CHHO)	C(CC[3]CH)(CCCH)(OC)(H)	C(CCHO)(CHHO)(CH3)(H)	O(CCCH)(CHHO)	107.1480	0.000	1	107.1480	0.000	1	109.6998	3.813	31	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CC[5]CC)(CCCH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CH3)	C(CC[5]CC)(CCCH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CH3)	112.4525	0.138	4	112.4525	0.019	4	109.6998	3.813	31	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CC[6]CC)(CCCH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CH3)	C(CC[6]CC)(CCCH)(OC)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(CH3)	112.6130	0.113	2	112.6130	0.013	2	109.6998	3.813	31	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(CCCH)(CCCN)(OSi)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(SiC3)	C(CCCH)(CCCN)(OSi)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(SiC3)	112.0490	0.000	1	112.0490	0.000	1	109.0117	2.012	25	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(CCCH)(CCHH)(OSi)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(SiC3)	C(CCCH)(CCHH)(OSi)(H)	C(CCHH)(CCHO)(CH3)(H)	O(CCCH)(SiC3)	108.2350	0.000	1	108.2350	0.000	1	109.0117	2.012	25	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(CCCH)(CCHH)(OSi)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(SiC3)	C(CCCH)(CCHH)(OSi)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(SiC3)	108.4823	0.921	13	108.4823	0.849	13	109.0117	2.012	25	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(CCCH)2(OSi)(H)	C(CCCH)(CCHH)(CCHO)(H)	O(CCCH)(SiC3)	C(CCCH)2(OSi)(H)	C(CCCH)(CCHH)(CCHO)(H)	O(CCCH)(SiC3)	109.9650	0.000	2	109.9650	0.000	2	109.0117	2.012	25	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(CCCH)2(OSi)(H)	C(CCCH)(CCHO)(CH3)(H)	O(CCCH)(SiC3)	C(CCCH)2(OSi)(H)	C(CCCH)(CCHO)(CH3)(H)	O(CCCH)(SiC3)	109.5330	0.000	2	109.5330	0.000	2	109.0117	2.012	25	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(CCCH)2(OSi)(H)	C(CCHO)(CHHO)(CH3)(H)	O(CCCH)(SiC3)	C(CCCH)2(OSi)(H)	C(CCHO)(CHHO)(CH3)(H)	O(CCCH)(SiC3)	111.6660	0.000	2	111.6660	0.000	2	109.0117	2.012	25	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(CCCH)2(OSi)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(SiC3)	C(CCCH)2(OSi)(H)	C(CCHO)2(CH3)(H)	O(CCCH)(SiC3)	107.5030	0.529	3	107.5030	0.279	3	109.0117	2.012	25	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(CN[6a]HS)(CCCH)(OSi)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(SiC3)	C(CN[6a]HS)(CCCH)(OSi)(H)	C(CCHO)(CH3)2(H)	O(CCCH)(SiC3)	109.9020	0.000	1	109.9020	0.000	1	109.0117	2.012	25	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	Si-4:C-4:	C(CCCH)(CCCO)(OSi)(H)	C(CCHO)(CHHO)(CH3)(H)	O(SiCCO)(CCCH)	C(CCCH)(CCCO)(OSi)(H)	C(CCHO)(CHHO)(CH3)(H)	O(SiCCO)(CCCH)	109.6740	0.208	2	109.6740	0.043	2	109.2655	0.896	4	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	Si-4:C-4:	C(CCCH)2(OSi)(H)	C(CC[6]HO)(CCHH)(CCHO)(H)	O(SiSi3)(CCCH)	C(CCCH)2(OSi)(H)	C(CC[6]HO)(CCHH)(CCHO)(H)	O(SiSi3)(CCCH)	107.8630	0.000	1	107.8630	0.000	1	109.2655	0.896	4	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	Si-4:C-4:	C(CCCH)2(OSi)(H)	C(CC[6a]HO)(CCHH)(CCHO)(H)	O(SiSi3)(CCCH)	C(CCCH)2(OSi)(H)	C(CC[6a]HO)(CCHH)(CCHO)(H)	O(SiSi3)(CCCH)	109.8510	0.000	1	109.8510	0.000	1	109.2655	0.896	4	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:	C(CC[3]CH)(CCCH)(OC)(H)	C(C[3]C[3]2H)(CCHO)(CH3)(H)	O(CCCH)(CHHO)	C(CC[3]CH)(CCCH)(OC)(H)	C(C[3]C[3]2H)(CCHO)(CH3)(H)	O(CCCH)(CHHO)	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	C(CC[6]HO)(CH3)2(H)	O(CC[6a]HH)(CC[6]CH)	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	C(CC[6]HO)(CH3)2(H)	O(CC[6a]HH)(CC[6]CH)	108.7755	0.558	2	108.7755	0.311	2	108.7755	0.311	2	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CC[6]HO)(CH3)2(H)	O(CC[6]CH)(SiCCO)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CC[6]HO)(CH3)2(H)	O(CC[6]CH)(SiCCO)	108.1870	0.000	1	108.1870	0.000	1	107.6647	0.963	4	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CC[6]HO)(CCHH)(CCHO)(H)	O(CC[6]CH)(SiSi3)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CC[6]HO)(CCHH)(CCHO)(H)	O(CC[6]CH)(SiSi3)	106.4660	0.000	1	106.4660	0.000	1	107.6647	0.963	4	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CC[6]HO)(CH3)2(H)	O(CC[6]CH)(SiCCO)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CC[6]HO)(CH3)2(H)	O(CC[6]CH)(SiCCO)	108.6920	0.000	1	108.6920	0.000	1	107.6647	0.963	4	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:Si-4:	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CC[6]HO)(CH3)2(H)	O(CC[6]CH)(SiSi3)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CC[6]HO)(CH3)2(H)	O(CC[6]CH)(SiSi3)	107.3140	0.000	1	107.3140	0.000	1	107.6647	0.963	4	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	O(CC[6]CH)(CCCH)	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	O(CC[6]CH)(CCCH)	107.1835	2.947	2	107.1835	8.682	2	107.1835	8.682	2	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:Si-4:	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	C(C[6]S[6]2C)(CC[6]HO)(CH3)(H)	O(CC[6]CH)(SiC3)	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	C(C[6]S[6]2C)(CC[6]HO)(CH3)(H)	O(CC[6]CH)(SiC3)	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	109.1944	2.962	70	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CBrHH)(CCCO)(OH)(H)	C(CBrHH)(CCHH)(CCHO)(OH)	O(CCCH)(H)	C(CBrHH)(CCCO)(OH)(H)	C(CBrHH)(CCHH)(CCHO)(OH)	O(CCCH)(H)	108.5670	0.000	1	108.5670	0.000	1	109.4464	2.699	26	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CBrHH)(CCCO)(OH)(H)	C(CBrHH)(CCHO)(CH3)(OH)	O(CCCH)(H)	C(CBrHH)(CCCO)(OH)(H)	C(CBrHH)(CCHO)(CH3)(OH)	O(CCCH)(H)	108.2600	0.000	1	108.2600	0.000	1	109.4464	2.699	26	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCH)(CCCO)(OH)(H)	C(CCHO)2(CH3)(OH)	O(CCCH)(H)	C(CCCH)(CCCO)(OH)(H)	C(CCHO)2(CH3)(OH)	O(CCCH)(H)	106.7880	0.000	1	106.7880	0.000	1	109.4464	2.699	26	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(OC)	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(OC)	O(CCCH)(H)	109.1573	0.809	3	109.1573	0.654	3	109.4464	2.699	26	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(OH)	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(OH)	O(CCCH)(H)	109.9140	1.862	3	109.9140	3.466	3	109.4464	2.699	26	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CCHO)(CH3)2(OC)	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(CCHO)(CH3)2(OC)	O(CCCH)(H)	111.2980	0.000	1	111.2980	0.000	1	109.4464	2.699	26	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CCHO)(CH3)2(OH)	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(CCHO)(CH3)2(OH)	O(CCCH)(H)	110.6394	1.502	5	110.6394	2.255	5	109.4464	2.699	26	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CCHO)2(CH3)(OH)	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(CCHO)2(CH3)(OH)	O(CCCH)(H)	110.8960	0.424	2	110.8960	0.180	2	109.4464	2.699	26	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CC[3]HH)(CCHO)(CH3)(OC)	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(CC[3]HH)(CCHO)(CH3)(OC)	O(CCCH)(H)	109.3965	0.004	2	109.3965	0.000	2	109.4464	2.699	26	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CC[5]HH)(CCHO)(CH3)(OC)	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(CC[5]HH)(CCHO)(CH3)(OC)	O(CCCH)(H)	106.5500	0.000	1	106.5500	0.000	1	109.4464	2.699	26	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CC[5]HH)(CCHO)(CH3)(OH)	O(CCCH)(H)	C(CCCO)(CCHH)(OH)(H)	C(CC[5]HH)(CCHO)(CH3)(OH)	O(CCCH)(H)	109.3250	0.000	1	109.3250	0.000	1	109.4464	2.699	26	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CHHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(OH)	O(CCCH)(H)	C(CCCO)(CHHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(OH)	O(CCCH)(H)	108.4535	0.162	2	108.4535	0.026	2	109.4464	2.699	26	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CC[6a]HH)(CCCO)(OH)(H)	C(CCHO)(CH3)2(OH)	O(CCCH)(H)	C(CC[6a]HH)(CCCO)(OH)(H)	C(CCHO)(CH3)2(OH)	O(CCCH)(H)	110.4610	0.870	2	110.4610	0.756	2	109.4464	2.699	26	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CC[6a]HN)(CCCO)(OH)(H)	C(CCHO)(CH3)2(OH)	O(CCCH)(H)	C(CC[6a]HN)(CCCO)(OH)(H)	C(CCHO)(CH3)2(OH)	O(CCCH)(H)	105.9940	0.000	1	105.9940	0.000	1	109.4464	2.699	26	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:	C(CC[5]CO)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	O(CCCH)(H)	C(CC[5]CO)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	O(CCCH)(H)	109.0700	0.804	5	109.0700	0.646	5	108.6307	1.675	6	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:	C(CC[5]CO)(CC[5]HH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	O(CCCH)(H)	C(CC[5]CO)(CC[5]HH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	O(CCCH)(H)	106.4340	0.000	1	106.4340	0.000	1	108.6307	1.675	6	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(C[3]C[3]O[3]H)(CCCO)(OH)(H)	C(CC[3]HO)(CH3)2(OC)	O(CC[3]CH)(H)	C(C[3]C[3]O[3]H)(CCCO)(OH)(H)	C(CC[3]HO)(CH3)2(OC)	O(CC[3]CH)(H)	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	C(CC[5]HO)(CH3)2(OH)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	C(CC[5]HO)(CH3)2(OH)	O(CC[5]CH)(H)	107.9596	1.870	5	107.9596	3.498	5	107.9596	3.498	5	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	C(CC[6]HO)(CCHH)(CH3)(OH)	O(CC[6]CH)(H)	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	C(CC[6]HO)(CCHH)(CH3)(OH)	O(CC[6]CH)(H)	109.8730	0.000	1	109.8730	0.000	1	109.8975	0.001	2	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	C(CC[6]HO)(CCHH)(CH3)(OH)	O(CC[6]CH)(H)	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	C(CC[6]HO)(CCHH)(CH3)(OH)	O(CC[6]CH)(H)	109.9220	0.000	1	109.9220	0.000	1	109.8975	0.001	2	109.1828	2.649	40	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OH)	O(CCCH)2	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OH)	O(CCCH)2	109.4820	0.518	2	109.4820	0.268	2	108.7325	2.079	4	109.7697	3.328	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:	C(CCCO)(CCHH)(OC)(H)	C(CCHO)(CH3)2(OH)	O(CCCH)2	C(CCCO)(CCHH)(OC)(H)	C(CCHO)(CH3)2(OH)	O(CCCH)2	107.9830	1.929	2	107.9830	3.721	2	108.7325	2.079	4	109.7697	3.328	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	Si-4:C-4:	C(CCCH)(CCCO)(OSi)(H)	C(CCHO)2(CH3)(OH)	O(SiCCO)(CCCH)	C(CCCH)(CCCO)(OSi)(H)	C(CCHO)2(CH3)(OH)	O(SiCCO)(CCCH)	111.9315	0.228	2	111.9315	0.052	2	111.9315	0.052	2	109.7697	3.328	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:2:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:Si-4:O-2:	C-4:C-4:	C(CSiCO)(CHHO)(OC)(H)	C(CCHH)(CCHO)(SiC3)(OH)	O(CCCH)(CC3)	C(CSiCO)(CHHO)(OC)(H)	C(CCHH)(CCHO)(SiC3)(OH)	O(CCCH)(CC3)	109.5950	0.000	1	109.5950	0.000	1	109.5950	0.000	1	109.7697	3.328	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:3:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(CC3)2(OH)(H)	C(CCHO)(CH3)2(CCO)	O(CCCH)(H)	C(CC3)2(OH)(H)	C(CCHO)(CH3)2(CCO)	O(CCCH)(H)	107.6170	0.000	1	107.6170	0.000	1	109.6496	3.409	22	109.7325	3.391	28	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:3:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(CC3)2(OH)(H)	C(CCHO)(CH3)2(COO)	O(CCCH)(H)	C(CC3)2(OH)(H)	C(CCHO)(CH3)2(COO)	O(CCCH)(H)	110.4090	0.000	1	110.4090	0.000	1	109.6496	3.409	22	109.7325	3.391	28	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:3:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCH)	O(CCCH)(H)	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCH)	O(CCCH)(H)	106.7720	0.013	2	106.7720	0.000	2	109.6496	3.409	22	109.7325	3.391	28	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:3:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCO)	O(CCCH)(H)	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCO)	O(CCCH)(H)	110.5070	1.819	3	110.5070	3.308	3	109.6496	3.409	22	109.7325	3.391	28	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:3:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCO)	O(CCCH)(H)	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCO)	O(CCCH)(H)	110.5827	0.798	7	110.5827	0.636	7	109.6496	3.409	22	109.7325	3.391	28	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:3:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(CCHN)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCH)	O(CCCH)(H)	C(CCHN)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCH)	O(CCCH)(H)	111.4320	0.000	1	111.4320	0.000	1	109.6496	3.409	22	109.7325	3.391	28	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:3:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CH3)2(COO)	O(CCCH)(H)	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CH3)2(COO)	O(CCCH)(H)	109.0860	0.000	1	109.0860	0.000	1	109.6496	3.409	22	109.7325	3.391	28	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:3:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(CC[5,6]CH)(CC3)(OH)(H)	C(CCHH)(CCHO)(CH3)(CCH)	O(CCCH)(H)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CCHH)(CCHO)(CH3)(CCH)	O(CCCH)(H)	109.1007	2.293	6	109.1007	5.256	6	109.6496	3.409	22	109.7325	3.391	28	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:3:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(CCHH)(OH)(H)	C(CCCO)(CCHH)(CCHO)(NHS)	O(CCCH)(H)	C(CCCN)(CCHH)(OH)(H)	C(CCCO)(CCHH)(CCHO)(NHS)	O(CCCH)(H)	106.5290	0.000	1	106.5290	0.000	1	106.5290	0.000	1	109.7325	3.391	28	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:3:	4:1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C(CC[5]HO)(CH3)2(CHO)	O(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C(CC[5]HO)(CH3)2(CHO)	O(CC[5]CH)(H)	110.7380	1.061	5	110.7380	1.127	5	110.7380	1.127	5	109.7325	3.391	28	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	111.0700	0.000	1	111.0700	0.000	1	109.8503	4.686	20	109.7722	5.318	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	111.1638	0.700	5	111.1638	0.490	5	109.8503	4.686	20	109.7722	5.318	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CCHO)(CC3)(OH)(H)	C(CCHH)(CCHO)(CH3)2	O(CCCH)(H)	C(CCHO)(CC3)(OH)(H)	C(CCHH)(CCHO)(CH3)2	O(CCCH)(H)	107.2250	0.000	1	107.2250	0.000	1	109.8503	4.686	20	109.7722	5.318	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	110.3293	0.493	3	110.3293	0.243	3	109.8503	4.686	20	109.7722	5.318	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC[5,6]CH)(CC3)(OH)(H)	C(CCHH)2(CCHO)(CH3)	O(CCCH)(H)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CCHH)2(CCHO)(CH3)	O(CCCH)(H)	108.9205	1.921	2	108.9205	3.691	2	109.8503	4.686	20	109.7722	5.318	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC[6a]CH)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	C(CC[6a]CH)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	111.5735	2.956	2	111.5735	8.740	2	109.8503	4.686	20	109.7722	5.318	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC[6a]HN)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	C(CC[6a]HN)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	106.3180	0.221	2	106.3180	0.049	2	109.8503	4.686	20	109.7722	5.318	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CHHN)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	C(CHHN)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	111.9620	0.758	2	111.9620	0.575	2	109.8503	4.686	20	109.7722	5.318	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CHHP)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	C(CHHP)(CC3)(OH)(H)	C(CCHO)(CH3)3	O(CCCH)(H)	107.1780	0.133	2	107.1780	0.018	2	109.8503	4.686	20	109.7722	5.318	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:N-4:	C-4:H-1:	C(CCCN)(CHHO)(OH)(H)	C(CCHH)(CCHO)(CHHN)(NCHH)	O(CCCH)(H)	C(CCCN)(CHHO)(OH)(H)	C(CCHH)(CCHO)(CHHN)(NCHH)	O(CCCH)(H)	105.1760	0.000	1	105.1760	0.000	1	105.1760	0.000	1	109.7722	5.318	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:1:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:	C(CC[4]CC)(CCCH)(OH)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	O(CCCH)(H)	C(CC[4]CC)(CCCH)(OH)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	O(CCCH)(H)	108.5070	0.000	1	108.5070	0.000	1	108.5070	0.000	1	109.7722	5.318	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(C[6]C[6]2H)(CC3)(OH)(H)	C(CC[6]HO)(CH3)3	O(CC[6]CH)(H)	C(C[6]C[6]2H)(CC3)(OH)(H)	C(CC[6]HO)(CH3)3	O(CC[6]CH)(H)	111.2050	2.190	3	111.2050	4.795	3	111.2050	4.795	3	109.7722	5.318	25	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:B-4:	C(CN[5]HH)(CC3)(OB)(H)	C(CCHO)(CH3)3	O(CCCH)(BC3)	C(CN[5]HH)(CC3)(OB)(H)	C(CCHO)(CH3)3	O(CCCH)(BC3)	110.8320	0.000	1	110.8320	0.000	1	110.8320	0.000	1	108.9025	1.457	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(CCCH)(CC3)(OC)(H)	C(CCHO)(CH3)3	O(CCCH)(CH3)	C(CCCH)(CC3)(OC)(H)	C(CCHO)(CH3)3	O(CCCH)(CH3)	109.3605	2.676	2	109.3605	7.163	2	109.0284	1.990	5	108.9025	1.457	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(CCHH)(CC3)(OC)(H)	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	O(CC[6a]HH)(CCCH)	C(CCHH)(CC3)(OC)(H)	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	O(CC[6a]HH)(CCCH)	108.5410	0.075	2	108.5410	0.006	2	109.0284	1.990	5	108.9025	1.457	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(CCHH)(CC3)(OC)(H)	C(CC[6]HH)(CCHH)(CCHO)(CH3)	O(CCCH)(CC3)	C(CCHH)(CC3)(OC)(H)	C(CC[6]HH)(CCHH)(CCHO)(CH3)	O(CCCH)(CC3)	109.3390	0.000	1	109.3390	0.000	1	109.0284	1.990	5	108.9025	1.457	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	Si-4:C-4:	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(CH3)3	O(SiSi3)(CCCH)	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(CH3)3	O(SiSi3)(CCCH)	107.0320	0.000	1	107.0320	0.000	1	108.8813	2.615	3	108.9025	1.457	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	Si-4:C-4:	C(CCHH)(CC3)(OSi)(H)	C(CCHO)2(CH3)2	O(SiC[6a]3)(CCCH)	C(CCHH)(CC3)(OSi)(H)	C(CCHO)2(CH3)2	O(SiC[6a]3)(CCCH)	109.8060	0.315	2	109.8060	0.099	2	108.8813	2.615	3	108.9025	1.457	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:	C(CC[5]CC)(CCCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	O(CCCH)(CH3)	C(CC[5]CC)(CCCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	O(CCCH)(CH3)	109.0995	0.263	4	109.0995	0.069	4	109.0995	0.069	4	108.9025	1.457	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:	C(CC[6]CC)(CCCH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	O(CCCH)(CH3)	C(CC[6]CC)(CCCH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	O(CCCH)(CH3)	107.3605	0.021	2	107.3605	0.000	2	107.3605	0.000	2	108.9025	1.457	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:Si-4:	C(CC[6]CC)(CCHH)(OSi)(H)	C(C[6]S[6]2C)(CCHO)(CH3)2	O(CCCH)(SiC3)	C(CC[6]CC)(CCHH)(OSi)(H)	C(C[6]S[6]2C)(CCHO)(CH3)2	O(CCCH)(SiC3)	108.0610	0.675	2	108.0610	0.455	2	108.0610	0.455	2	108.9025	1.457	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:Si-4:	C(C[5]C[5]2H)(CC3)(OSi)(H)	C(CC[5]HO)(CH3)3	O(CC[5]CH)(SiSi3)	C(C[5]C[5]2H)(CC3)(OSi)(H)	C(CC[5]HO)(CH3)3	O(CC[5]CH)(SiSi3)	108.4400	0.000	1	108.4400	0.000	1	108.4400	0.000	1	108.9025	1.457	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:Si-4:	C(C[6]C[6]2H)(CC3)(OSi)(H)	C(CC[6]HO)(CH3)3	O(CC[6]CH)(SiSi3)	C(C[6]C[6]2H)(CC3)(OSi)(H)	C(CC[6]HO)(CH3)3	O(CC[6]CH)(SiSi3)	108.6210	1.167	2	108.6210	1.361	2	108.6210	1.361	2	108.9025	1.457	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:4:	Si-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:Si-4:	C(SiSi2N)(CC3)(OSi)(H)	C(CSiHO)(CH3)3	O(CSiCH)(SiC3)	C(SiSi2N)(CC3)(OSi)(H)	C(CSiHO)(CH3)3	O(CSiCH)(SiC3)	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	108.9025	1.457	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:1:	4:4:4:4:	4:4:	Si-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	Si-4:C-4:	C(SiSi2O)(CC3)(OSi)(H)	C(CSiHO)(CH3)3	O(SiSiCC)(CSiCH)	C(SiSi2O)(CC3)(OSi)(H)	C(CSiHO)(CH3)3	O(SiSiCC)(CSiCH)	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	108.9025	1.457	22	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	3:4:1:1:	4:1:	C-4:C-4:O-2:O-2:	C[6a]-3:C-4:F-1:F-1:	C-4:H-1:	C(CC[6a]FF)(CF3)(OH)2	C(C[6a]C[6a]2)(CCOO)(F)2	O(CCCO)(H)	C(CC[6a]FF)(CF3)(OH)2	C(C[6a]C[6a]2)(CCOO)(F)2	O(CCCO)(H)	108.1378	2.764	4	108.1378	7.638	4	108.1378	7.638	4	108.1378	7.638	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	3:4:2:1:	4:1:	C-4:C-4:C-2:O-2:	C-3:C-4:N-2:H-1:	C-4:H-1:	C(CCHN)(CF3)(CC)(OH)	C(CN[5]O)(CCCO)(NN)(H)	O(CC3)(H)	C(CCHN)(CF3)(CC)(OH)	C(CN[5]O)(CCCO)(NN)(H)	O(CC3)(H)	113.5380	0.109	2	113.5380	0.012	2	113.5380	0.012	2	113.5380	0.012	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:1:	C-4:C-4:C-2:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CCHN)(CF3)(CC)(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CCHN)(CF3)(CC)(OH)	C(CCCO)(F)3	O(CC3)(H)	107.7700	0.936	2	107.7700	0.876	2	107.7700	0.876	2	107.9794	3.958	123	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:1:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(CC)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCHH)(CH3)(CC)(OH)	C(CCCO)(H)3	O(CC3)(H)	107.3120	1.742	2	107.3120	3.036	2	108.1734	3.683	98	107.9794	3.958	123	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:1:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)2(CC)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CH3)2(CC)(OH)	C(CCCO)(H)3	O(CC3)(H)	108.1913	1.927	96	108.1913	3.712	96	108.1734	3.683	98	107.9794	3.958	123	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:1:	C-4:C-4:O-2:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CCFF)(CF3)(OH)2	C(CCOO)(F)3	O(CCCO)(H)	C(CCFF)(CF3)(OH)2	C(CCOO)(F)3	O(CCCO)(H)	107.2110	4.207	2	107.2110	17.701	2	106.8070	5.281	17	107.9794	3.958	123	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:1:	C-4:C-4:O-2:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CCHH)(CF3)(OC)(OH)	C(CCOO)(F)3	O(CCCO)(H)	C(CCHH)(CF3)(OC)(OH)	C(CCOO)(F)3	O(CCCO)(H)	104.5910	0.000	1	104.5910	0.000	1	106.8070	5.281	17	107.9794	3.958	123	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:1:	C-4:C-4:O-2:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CCHN)(CF3)(OH)2	C(CCOO)(F)3	O(CCCO)(H)	C(CCHN)(CF3)(OH)2	C(CCOO)(F)3	O(CCCO)(H)	106.5725	3.700	2	106.5725	13.692	2	106.8070	5.281	17	107.9794	3.958	123	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:1:	C-4:C-4:O-2:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CC[6a]FF)(CF3)(OH)2	C(CCOO)(F)3	O(CCCO)(H)	C(CC[6a]FF)(CF3)(OH)2	C(CCOO)(F)3	O(CCCO)(H)	108.6990	0.867	4	108.6990	0.752	4	106.8070	5.281	17	107.9794	3.958	123	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:1:	C-4:C-4:O-2:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CF3)2(OCo)(OH)	C(CCOO)(F)3	O(CCCO)(H)	C(CF3)2(OCo)(OH)	C(CCOO)(F)3	O(CCCO)(H)	106.0956	1.969	8	106.0956	3.877	8	106.8070	5.281	17	107.9794	3.958	123	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:1:	C-4:C-4:O-2:O-2:	C-4:F-1:H-1:H-1:	C-4:H-1:	C(CFHH)(CHHO)(OH)2	C(CCOO)(F)(H)2	O(CCCO)(H)	C(CFHH)(CHHO)(OH)2	C(CCOO)(F)(H)2	O(CCCO)(H)	106.9895	1.115	2	106.9895	1.243	2	106.9895	1.243	2	107.9794	3.958	123	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:1:	C-4:P-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)(PO3)(CC)(OH)	C(CCOP)(H)3	O(CCCP)(H)	C(CH3)(PO3)(CC)(OH)	C(CCOP)(H)3	O(CCCP)(H)	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	107.9794	3.958	123	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)(CC)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)(CC)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	107.9794	3.958	123	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:1:	C[5]-4:C-4:O-2:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CF3)(OH)2	C(CC[5]OO)(F)3	O(CC[5]CO)(H)	C(C[5]C[5]O[5]H)(CF3)(OH)2	C(CC[5]OO)(F)3	O(CC[5]CO)(H)	108.6545	0.948	2	108.6545	0.899	2	108.6545	0.899	2	107.9794	3.958	123	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:2:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(CH3)2(CN)(OO)	C(CCCO)(H)3	O(CC3)(OC)	C(CH3)2(CN)(OO)	C(CCCO)(H)3	O(CC3)(OC)	106.9575	0.525	2	106.9575	0.276	2	106.9575	0.276	2	107.7005	28.070	75	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:2:	C-4:C-4:N-2:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(CH3)2(NN)(OO)	C(CCNO)(H)3	O(CCCN)(OH)	C(CH3)2(NN)(OO)	C(CCNO)(H)3	O(CCCN)(OH)	107.9705	6.211	2	107.9705	38.571	2	107.9705	38.571	2	107.7005	28.070	75	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:2:	C-4:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(CH3)2(OO)2	C(CCOO)(H)3	O(CCCO)(OC)	C(CH3)2(OO)2	C(CCOO)(H)3	O(CCCO)(OC)	107.6754	5.422	67	107.6754	29.401	67	107.7138	29.101	71	107.7005	28.070	75	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:2:	C-4:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(CH3)2(OO)2	C(CCOO)(H)3	O(CCCO)(OH)	C(CH3)2(OO)2	C(CCOO)(H)3	O(CCCO)(OH)	108.3568	5.623	4	108.3568	31.621	4	107.7138	29.101	71	107.7005	28.070	75	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:4:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(CC)(OC)	C(CCCO)(H)3	O(CC[6a]HH)(CC3)	C(CH3)2(CC)(OC)	C(CCCO)(H)3	O(CC[6a]HH)(CC3)	108.1455	4.020	4	108.1455	16.158	4	108.1455	16.158	4	107.2611	14.666	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:4:	C-4:C-4:O-2:C-2:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CCHH)(CH3)(OSi)(CC)	C(CCCO)(H)3	O(SiC3)(CC3)	C(CCHH)(CH3)(OSi)(CC)	C(CCCO)(H)3	O(SiC3)(CC3)	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	107.2611	14.666	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:4:	C-4:C-4:O-2:O-2:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(CCHH)(CF3)(OC)(OH)	C(CCOO)(F)3	O(CCCO)(CH3)	C(CCHH)(CF3)(OC)(OH)	C(CCOO)(F)3	O(CCCO)(CH3)	109.7200	0.000	1	109.7200	0.000	1	104.8960	8.237	13	107.2611	14.666	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:4:	C-4:C-4:O-2:O-2:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(CF3)2(OCu)(OC)	C(CCOO)(F)3	O(CCCO)2	C(CF3)2(OCu)(OC)	C(CCOO)(F)3	O(CCCO)2	104.4940	2.587	12	104.4940	6.694	12	104.8960	8.237	13	107.2611	14.666	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:4:	C-4:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)2	C(CCOO)(H)3	O(CCCH)(CCCO)	C(CCHH)(CH3)(OC)2	C(CCOO)(H)3	O(CCCH)(CCCO)	113.6120	0.000	1	113.6120	0.000	1	108.8975	14.462	16	107.2611	14.666	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:4:	C-4:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)2	C(CCOO)(H)3	O(CCCO)(CCHH)	C(CCHH)(CH3)(OC)2	C(CCOO)(H)3	O(CCCO)(CCHH)	104.0900	0.000	1	104.0900	0.000	1	108.8975	14.462	16	107.2611	14.666	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:4:	C-4:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHO)(CH3)(OC)2	C(CCOO)(H)3	O(CCCO)(CH3)	C(CCHO)(CH3)(OC)2	C(CCOO)(H)3	O(CCCO)(CH3)	109.5155	5.510	2	109.5155	30.365	2	108.8975	14.462	16	107.2611	14.666	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:4:	C-4:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(OC)2	C(CCOO)(H)3	O(CCCO)(CCHH)	C(CH3)2(OC)2	C(CCOO)(H)3	O(CCCO)(CCHH)	108.7124	3.470	8	108.7124	12.042	8	108.8975	14.462	16	107.2611	14.666	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:4:	C-4:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(OC)2	C(CCOO)(H)3	O(CC[5,6]HH)(CCCO)	C(CH3)2(OC)2	C(CCOO)(H)3	O(CC[5,6]HH)(CCCO)	108.5020	5.336	2	108.5020	28.471	2	108.8975	14.462	16	107.2611	14.666	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:1:1:1:	4:4:	C-4:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(OC)2	C(CCOO)(H)3	O(CC[5]HH)(CCCO)	C(CH3)2(OC)2	C(CCOO)(H)3	O(CC[5]HH)(CCCO)	109.4620	5.145	2	109.4620	26.470	2	108.8975	14.462	16	107.2611	14.666	34	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:2:1:1:	4:1:	C-4:C-4:O-2:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CFHH)(CHHO)(OH)2	C(CCOO)(OP)(H)2	O(CCCO)(H)	C(CFHH)(CHHO)(OH)2	C(CCOO)(OP)(H)2	O(CCCO)(H)	110.5185	1.684	2	110.5185	2.835	2	110.5185	2.835	2	110.5185	2.835	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:3:1:1:	4:1:	C-4:C-4:O-2:O-2:	C-4:C-3:F-1:F-1:	C-4:H-1:	C(CCFF)(CF3)(OH)2	C(CCOO)(CCO)(F)2	O(CCCO)(H)	C(CCFF)(CF3)(OH)2	C(CCOO)(CCO)(F)2	O(CCCO)(H)	107.7130	4.889	2	107.7130	23.902	2	107.7130	23.902	2	107.7130	23.902	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:3:1:1:	4:4:	C-4:C-4:O-2:O-2:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)2	C(CCOO)(CCO)(H)2	O(CCCH)(CCCO)	C(CCHH)(CH3)(OC)2	C(CCOO)(CCO)(H)2	O(CCCH)(CCCO)	103.4860	0.000	1	103.4860	0.000	1	107.5235	32.603	2	107.5235	32.603	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:3:1:1:	4:4:	C-4:C-4:O-2:O-2:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CCHH)(CH3)(OC)2	C(CCOO)(CCO)(H)2	O(CCCO)(CCHH)	C(CCHH)(CH3)(OC)2	C(CCOO)(CCO)(H)2	O(CCCO)(CCHH)	111.5610	0.000	1	111.5610	0.000	1	107.5235	32.603	2	107.5235	32.603	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:3:2:1:	4:4:	C-4:C-4:O-2:O-2:	C-4:C-3:O-2:H-1:	C-4:C-4:	C(CCHO)(CH3)(OC)2	C(CCOO)(CNO)(OH)(H)	O(CCCO)(CH3)	C(CCHO)(CH3)(OC)2	C(CCOO)(CNO)(OH)(H)	O(CCCO)(CH3)	107.1595	4.958	2	107.1595	24.577	2	107.1595	24.577	2	107.1595	24.577	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:3:3:1:	4:1:	C-4:C-4:O-2:O-2:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(CCHN)(CF3)(OH)2	C(CCOO)(COO)(NCH)(H)	O(CCCO)(H)	C(CCHN)(CF3)(OH)2	C(CCOO)(COO)(NCH)(H)	O(CCCO)(H)	109.8370	5.337	2	109.8370	28.486	2	109.8370	28.486	2	109.8370	28.486	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:4:1:1:	2:4:	C-4:C-4:O-2:O-2:	C-4:C-4:H-1:H-1:	O-2:C-4:	C(CCHH)2(OO)2	C(CCHH)(CCOO)(H)2	O(OC[6])(CCCO)	C(CCHH)2(OO)2	C(CCHH)(CCOO)(H)2	O(OC[6])(CCCO)	107.5945	7.690	2	107.5945	59.133	2	107.5945	59.133	2	107.5945	59.133	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:4:1:1:	4:1:	C-4:C-4:C-2:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHN)(CC)(OH)	C(CCCO)(CH3)(H)2	O(CC3)(H)	C(CCHH)(CCHN)(CC)(OH)	C(CCCO)(CH3)(H)2	O(CC3)(H)	109.0485	2.751	2	109.0485	7.570	2	108.8320	8.725	4	109.7408	10.673	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:4:1:1:	4:1:	C-4:C-4:C-2:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(CC)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CCHH)(CH3)(CC)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	108.6155	4.291	2	108.6155	18.416	2	108.8320	8.725	4	109.7408	10.673	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:4:1:1:	4:1:	C-4:C-4:O-2:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CF3)(OC)(OH)	C(CCOO)2(H)2	O(CCCO)(H)	C(CCHH)(CF3)(OC)(OH)	C(CCOO)2(H)2	O(CCCO)(H)	113.3760	0.000	1	113.3760	0.000	1	113.3760	0.000	1	109.7408	10.673	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:4:1:1:	4:2:	C-4:C-4:O-2:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:	C(CCHH)2(OO)2	C(CCHH)(CCOO)(H)2	O(CCCO)(OC)	C(CCHH)2(OO)2	C(CCHH)(CCOO)(H)2	O(CCCO)(OC)	107.8493	5.273	20	107.8493	27.800	20	107.6474	26.701	56	107.6474	26.701	56	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:4:1:1:	4:2:	C-4:C-4:O-2:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:	C(CCHH)2(OO)2	C(CCHH)(CCOO)(H)2	O(CCCO)(OH)	C(CCHH)2(OO)2	C(CCHH)(CCOO)(H)2	O(CCCO)(OH)	107.8810	7.623	2	107.8810	58.104	2	107.6474	26.701	56	107.6474	26.701	56	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:4:1:1:	4:2:	C-4:C-4:O-2:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:	C(CCHH)2(OO)2	C(CCHH)(CCOO)(H)2	O(CCCO)(OSi)	C(CCHH)2(OO)2	C(CCHH)(CCOO)(H)2	O(CCCO)(OSi)	106.9524	5.268	12	106.9524	27.749	12	107.6474	26.701	56	107.6474	26.701	56	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:4:1:1:	4:2:	C-4:C-4:O-2:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:	C(CCHH)2(OO)2	C(CCOO)(CH3)(H)2	O(CCCO)(OC)	C(CCHH)2(OO)2	C(CCOO)(CH3)(H)2	O(CCCO)(OC)	107.8216	5.208	22	107.8216	27.126	22	107.6474	26.701	56	107.6474	26.701	56	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:4:1:1:	4:4:	C-4:C-4:O-2:C-2:	C-4:C-4:H-1:H-1:	Si-4:C-4:	C(CCHH)(CH3)(OSi)(CC)	C(CCCO)(CCHH)(H)2	O(SiC3)(CC3)	C(CCHH)(CH3)(OSi)(CC)	C(CCCO)(CCHH)(H)2	O(SiC3)(CC3)	106.5620	0.000	1	106.5620	0.000	1	106.5620	0.000	1	107.9205	6.767	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:4:1:1:	4:4:	C-4:C-4:O-2:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CF3)(OC)(OH)	C(CCOO)2(H)2	O(CCCO)(CH3)	C(CCHH)(CF3)(OC)(OH)	C(CCOO)2(H)2	O(CCCO)(CH3)	106.0190	0.000	1	106.0190	0.000	1	106.0190	0.000	1	107.9205	6.767	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C-4:O-2:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	C(CC[6]OO)(CCHH)(H)2	O(CC[6]CO)(CH3)	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	C(CC[6]OO)(CCHH)(H)2	O(CC[6]CO)(CH3)	111.7330	0.000	1	111.7330	0.000	1	111.7330	0.000	1	107.9205	6.767	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C-4:O-2:O-2:	C-4:C-4:H-1:H-1:	C-4:Si-4:	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	C(CC[6]OO)(CCHH)(H)2	O(CC[6]CO)(SiC3)	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	C(CC[6]OO)(CCHH)(H)2	O(CC[6]CO)(SiC3)	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	107.9205	6.767	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:4:3:1:	4:1:	C-4:C-4:C-2:O-2:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHH)(CCHN)(CC)(OH)	C(CCCH)(CCCO)(NHS)(H)	O(CC3)(H)	C(CCHH)(CCHN)(CC)(OH)	C(CCCH)(CCCO)(NHS)(H)	O(CC3)(H)	106.2805	2.706	2	106.2805	7.323	2	106.2805	7.323	2	106.2805	7.323	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:4:4:1:	4:1:	C[3]-4:C-4:C-2:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[3]C[3]2H)(CCCH)(CC)(OH)	C(CC[3]CO)(CH3)2(H)	O(CC[3]CC)(H)	C(C[3]C[3]2H)(CCCH)(CC)(OH)	C(CC[3]CO)(CH3)2(H)	O(CC[3]CC)(H)	106.0925	0.250	2	106.0925	0.062	2	106.0925	0.062	2	106.0925	0.062	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:2:2:	4:4:4:4:	4:1:	C[3]-4:C-4:C-2:O-2:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(C[3]C[3]2H)(CC3)(CC)(OH)	C(CC[3]CO)(CH3)3	O(CC[3]CC)(H)	C(C[3]C[3]2H)(CC3)(CC)(OH)	C(CC[3]CO)(CH3)3	O(CC[3]CC)(H)	105.7780	0.000	1	105.7780	0.000	1	105.7780	0.000	1	105.7780	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	2:4:2:1:	4:1:	C-4:C-4:C-3:O-2:	O-2:C-4:O-2:H-1:	C-4:H-1:	C(CHOO)(CH3)(COO)(OH)	C(OC[6])(CCCO)(OC)(H)	O(CC3)(H)	C(CHOO)(CH3)(COO)(OH)	C(OC[6])(CCCO)(OC)(H)	O(CC3)(H)	107.8085	4.439	2	107.8085	19.700	2	107.8085	19.700	2	107.8085	19.700	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-3:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CF3)(CCH)(OH)	C(CC[5]C)(CCCO)(H)2	O(CC3)(H)	C(CCHH)(CF3)(CCH)(OH)	C(CC[5]C)(CCCO)(H)2	O(CC3)(H)	112.4960	0.000	1	112.4960	0.000	1	112.4542	1.554	5	111.0567	2.846	15	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-3:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CF3)(COO)(OH)	C(CC[6a]C)(CCCO)(H)2	O(CC3)(H)	C(CCHH)(CF3)(COO)(OH)	C(CC[6a]C)(CCCO)(H)2	O(CC3)(H)	112.4437	1.439	4	112.4437	2.071	4	112.4542	1.554	5	111.0567	2.846	15	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CF3)(COO)(OH)	C(C[5]C[5]O[5])(CCCO)(H)2	O(CC3)(H)	C(CC[5]HH)(CF3)(COO)(OH)	C(C[5]C[5]O[5])(CCCO)(H)2	O(CC3)(H)	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	111.0567	2.846	15	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]BrH)(CC[5a]HH)(COO)(OH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	O(CC3)(H)	C(CC[6a]BrH)(CC[5a]HH)(COO)(OH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	O(CC3)(H)	108.6630	0.000	1	108.6630	0.000	1	108.6630	0.000	1	111.0567	2.846	15	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CF3)(COO)(OH)	C(C[6]C[6]2)(CCCO)(H)2	O(CC3)(H)	C(CC[6]HH)(CF3)(COO)(OH)	C(C[6]C[6]2)(CCCO)(H)2	O(CC3)(H)	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	111.0567	2.846	15	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:Br-1:H-1:	C-4:H-1:	C(CC[6a]BrH)(CC[5a]HH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(Br)(H)	O(CC3)(H)	C(CC[6a]BrH)(CC[5a]HH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(Br)(H)	O(CC3)(H)	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	111.0567	2.846	15	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	O(CC3)(H)	C(CC[6a]HH)(CCHH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	O(CC3)(H)	110.1585	0.193	2	110.1585	0.037	2	110.0663	1.273	6	111.0567	2.846	15	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHN)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	O(CC3)(H)	C(CC[6a]HH)(CCHN)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	O(CC3)(H)	109.9000	0.000	1	109.9000	0.000	1	110.0663	1.273	6	111.0567	2.846	15	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CC[6a]HO)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	O(CC3)(H)	C(CC[6a]HH)(CC[6a]HO)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	O(CC3)(H)	109.0505	0.405	2	109.0505	0.164	2	110.0663	1.273	6	111.0567	2.846	15	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CH3)(CCO)(OH)	C(C[6a]C[6a]N[6a])(CCCO)(H)2	O(CC3)(H)	C(CC[6a]HH)(CH3)(CCO)(OH)	C(C[6a]C[6a]N[6a])(CCCO)(H)2	O(CC3)(H)	112.0800	0.000	1	112.0800	0.000	1	110.0663	1.273	6	111.0567	2.846	15	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:2:1:	4:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HH)(CC[6a]HO)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	O(CC3)(H)	C(CC[6a]HH)(CC[6a]HO)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	O(CC3)(H)	109.6610	0.044	2	109.6610	0.002	2	109.2195	0.478	6	109.2195	0.478	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:2:1:	4:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(CBrCH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	O(CC3)(H)	C(CC[6a]HO)(CBrCH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	O(CC3)(H)	107.8530	0.000	1	107.8530	0.000	1	109.2195	0.478	6	109.2195	0.478	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:2:1:	4:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(CCHH)(CCH)(OH)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	O(CC3)(H)	C(CC[6a]HO)(CCHH)(CCH)(OH)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	O(CC3)(H)	109.3260	0.182	2	109.3260	0.033	2	109.2195	0.478	6	109.2195	0.478	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:2:1:	4:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(CH3)(COS)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	O(CC3)(H)	C(CC[6a]HO)(CH3)(COS)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	O(CC3)(H)	109.4900	0.000	1	109.4900	0.000	1	109.2195	0.478	6	109.2195	0.478	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:3:1:	4:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(CC[6a]CH)(CCHH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(COO)(H)	O(CC3)(H)	C(CC[6a]CH)(CCHH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(COO)(H)	O(CC3)(H)	109.7013	0.526	3	109.7013	0.276	3	109.7013	0.276	3	109.4592	0.419	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:3:1:	4:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:	C(CC[6a]HN)(CH3)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(NHS)(H)	O(CC3)(H)	C(CC[6a]HN)(CH3)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(NHS)(H)	O(CC3)(H)	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	109.4592	0.419	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:4:1:	4:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(CH3)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(CH3)(H)	O(CC3)(H)	C(CC[6a]CH)(CH3)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(CH3)(H)	O(CC3)(H)	110.6400	2.683	2	110.6400	7.197	2	110.6400	7.197	2	110.6400	7.197	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:4:1:	4:4:	C-4:C-4:C-3:O-2:	C[5a]-3:C-4:C-4:H-1:	Si-4:C-4:	C(CC[5a]CH)(CCHH)(COO)(OSi)	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	O(SiC3)(CC3)	C(CC[5a]CH)(CCHH)(COO)(OSi)	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	O(SiC3)(CC3)	108.1710	0.000	1	108.1710	0.000	1	108.1710	0.000	1	105.9385	9.968	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:4:1:	4:4:	C-4:C-4:C-3:O-2:	C[6a]-3:N-4:C-4:H-1:	C-4:C-4:	C(CC[6a]HN)(CH3)(COO)(OC)	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	O(CC3)(CH3)	C(CC[6a]HN)(CH3)(COO)(OC)	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	O(CC3)(CH3)	103.7060	0.000	1	103.7060	0.000	1	103.7060	0.000	1	105.9385	9.968	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	3:4:4:2:	4:4:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:	C(CC[6a]CO)(CCHH)(CCH)(OC)	C(C[6a]C[6a]2)(CCCO)(CH3)(OC)	O(CCHH)(CC3)	C(CC[6a]CO)(CCHH)(CCH)(OC)	C(C[6a]C[6a]2)(CCCO)(CH3)(OC)	O(CCHH)(CC3)	105.9990	0.000	1	105.9990	0.000	1	105.9990	0.000	1	105.9990	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	3:4:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	N-3:C-4:	C(CH3)2(COO)(ON)	C(CCCO)(H)3	O(NPdC)(CC3)	C(CH3)2(COO)(ON)	C(CCCO)(H)3	O(NPdC)(CC3)	107.0650	7.563	2	107.0650	57.202	2	107.0650	57.202	2	107.0650	57.202	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:Cl-1:H-1:H-1:	C-4:H-1:	C(CClHH)(CH3)(CNO)(OH)	C(CCCO)(Cl)(H)2	O(CC3)(H)	C(CClHH)(CH3)(CNO)(OH)	C(CCCO)(Cl)(H)2	O(CC3)(H)	107.0660	0.000	1	107.0660	0.000	1	107.0660	0.000	1	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CCCO)(CF3)(COO)(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CCCO)(CF3)(COO)(OH)	C(CCCO)(F)3	O(CC3)(H)	105.3145	0.141	2	105.3145	0.020	2	106.4403	3.225	16	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CCHH)(CF3)(CCH)(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CCHH)(CF3)(CCH)(OH)	C(CCCO)(F)3	O(CC3)(H)	104.9895	3.310	2	104.9895	10.956	2	106.4403	3.225	16	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CCHH)(CF3)(COO)(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CCHH)(CF3)(COO)(OH)	C(CCCO)(F)3	O(CC3)(H)	106.3355	1.479	4	106.3355	2.187	4	106.4403	3.225	16	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CC[5]HH)(CF3)(COO)(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CC[5]HH)(CF3)(COO)(OH)	C(CCCO)(F)3	O(CC3)(H)	106.4110	0.000	1	106.4110	0.000	1	106.4403	3.225	16	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CC[6]HH)(CF3)(COO)(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CC[6]HH)(CF3)(COO)(OH)	C(CCCO)(F)3	O(CC3)(H)	103.7230	0.000	1	103.7230	0.000	1	106.4403	3.225	16	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CF3)(CH3)(COO)(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CF3)(CH3)(COO)(OH)	C(CCCO)(F)3	O(CC3)(H)	107.2290	0.287	2	107.2290	0.082	2	106.4403	3.225	16	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CF3)2(CCH)(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CF3)2(CCH)(OH)	C(CCCO)(F)3	O(CC3)(H)	109.0620	0.315	2	109.0620	0.099	2	106.4403	3.225	16	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CF3)2(COO)(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CF3)2(COO)(OH)	C(CCCO)(F)3	O(CC3)(H)	107.1895	0.610	2	107.1895	0.372	2	106.4403	3.225	16	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:F-1:F-1:H-1:	C-4:H-1:	C(CCHH)(CFFH)(COO)(OH)	C(CCCO)(F)2(H)	O(CC3)(H)	C(CCHH)(CFFH)(COO)(OH)	C(CCCO)(F)2(H)	O(CC3)(H)	106.6250	0.000	1	106.6250	0.000	1	106.6250	0.000	1	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CBrCC)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CBrCC)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	106.0280	0.187	2	106.0280	0.035	2	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC3)(CH3)(CCH)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC3)(CH3)(CCH)(OH)	C(CCCO)(H)3	O(CC3)(H)	106.7870	0.000	1	106.7870	0.000	1	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCCH)(CH3)(CCO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCCH)(CH3)(CCO)(OH)	C(CCCO)(H)3	O(CC3)(H)	111.4950	0.000	1	111.4950	0.000	1	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCCH)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCCH)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	110.3600	3.117	3	110.3600	9.714	3	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCCN)(CH3)(CCC)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCCN)(CH3)(CCC)(OH)	C(CCCO)(H)3	O(CC3)(H)	107.2760	0.000	1	107.2760	0.000	1	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(CCH)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCHH)(CH3)(CCH)(OH)	C(CCCO)(H)3	O(CC3)(H)	108.5825	1.508	8	108.5825	2.274	8	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHN)(CH3)(CCC)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCHN)(CH3)(CCC)(OH)	C(CCCO)(H)3	O(CC3)(H)	109.3630	0.000	2	109.3630	0.000	2	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHO)(CH3)(CCH)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCHO)(CH3)(CCH)(OH)	C(CCCO)(H)3	O(CC3)(H)	107.1953	1.355	3	107.1953	1.837	3	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHO)(CH3)(CNO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCHO)(CH3)(CNO)(OH)	C(CCCO)(H)3	O(CC3)(H)	107.0350	0.000	1	107.0350	0.000	1	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[3]HO)(CH3)(CCC)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[3]HO)(CH3)(CCC)(OH)	C(CCCO)(H)3	O(CC3)(H)	107.5800	0.000	1	107.5800	0.000	1	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[5]HO)(CH3)(CCO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[5]HO)(CH3)(CCO)(OH)	C(CCCO)(H)3	O(CC3)(H)	110.8725	0.467	4	110.8725	0.218	4	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]CH)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6a]CH)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	108.4030	2.693	2	108.4030	7.250	2	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CH3)(CCO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6a]HH)(CH3)(CCO)(OH)	C(CCCO)(H)3	O(CC3)(H)	106.2390	0.000	1	106.2390	0.000	1	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]HN)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6a]HN)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	108.1880	0.000	1	108.1880	0.000	1	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]HO)(CH3)(COS)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6a]HO)(CH3)(COS)(OH)	C(CCCO)(H)3	O(CC3)(H)	112.5800	0.000	1	112.5800	0.000	1	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CClCH)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CClCH)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	106.9280	0.000	1	106.9280	0.000	1	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CClHH)(CH3)(CNO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CClHH)(CH3)(CNO)(OH)	C(CCCO)(H)3	O(CC3)(H)	111.4910	0.000	1	111.4910	0.000	1	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CF3)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CF3)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	108.6830	0.045	2	108.6830	0.002	2	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)2(CCC)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CH3)2(CCC)(OH)	C(CCCO)(H)3	O(CC3)(H)	106.7599	0.865	10	106.7599	0.748	10	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)2(CCH)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CH3)2(CCH)(OH)	C(CCCO)(H)3	O(CC3)(H)	107.8221	2.699	12	107.8221	7.282	12	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)2(CCO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CH3)2(CCO)(OH)	C(CCCO)(H)3	O(CC3)(H)	108.8741	1.790	20	108.8741	3.206	20	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CHHN)(CH3)(CCH)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CHHN)(CH3)(CCH)(OH)	C(CCCO)(H)3	O(CC3)(H)	110.8470	0.000	1	110.8470	0.000	1	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CHHO)(CH3)(CCC)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CHHO)(CH3)(CCC)(OH)	C(CCCO)(H)3	O(CC3)(H)	108.4160	0.000	1	108.4160	0.000	1	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CHHS)(CH3)(CNO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CHHS)(CH3)(CNO)(OH)	C(CCCO)(H)3	O(CC3)(H)	111.5522	0.413	5	111.5522	0.170	5	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CHOO)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CHOO)(CH3)(COO)(OH)	C(CCCO)(H)3	O(CC3)(H)	110.2780	1.949	2	110.2780	3.798	2	108.6425	4.604	87	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	108.5390	0.519	2	108.5390	0.269	2	109.6468	1.679	5	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)(COO)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CH3)(COO)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	110.9640	0.000	1	110.9640	0.000	1	109.6468	1.679	5	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)(COO)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)(COO)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	109.1330	0.000	1	109.1330	0.000	1	109.6468	1.679	5	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]S[5]S)(CH3)(CCO)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]S[5]S)(CH3)(CCO)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	111.0590	0.000	1	111.0590	0.000	1	109.6468	1.679	5	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C[6,6]-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6,6]C[6,6]2H)(CH3)(COO)(OH)	C(CC[6,6]CO)(H)3	O(CC[6,6]CC)(H)	C(C[6,6]C[6,6]2H)(CH3)(COO)(OH)	C(CC[6,6]CO)(H)3	O(CC[6,6]CC)(H)	109.0475	2.484	2	109.0475	6.171	2	109.0475	6.171	2	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6]C[5a,6]C[6]H)(CF3)(COO)(OH)	C(CC[6]CO)(F)3	O(CC[6]CC)(H)	C(C[6]C[5a,6]C[6]H)(CF3)(COO)(OH)	C(CC[6]CO)(F)3	O(CC[6]CC)(H)	106.0750	0.000	1	106.0750	0.000	1	106.0788	2.155	6	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[6]C[6]2H)(CF3)(COO)(OH)	C(CC[6]CO)(F)3	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CF3)(COO)(OH)	C(CC[6]CO)(F)3	O(CC[6]CC)(H)	106.0796	1.641	5	106.0796	2.694	5	106.0788	2.155	6	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]N[6]H)(CH3)(CCO)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	C(C[6]C[6]N[6]H)(CH3)(CCO)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	109.0260	0.000	1	109.0260	0.000	1	107.9900	8.596	9	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CH3)(CCC)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CH3)(CCC)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	104.9720	0.357	4	104.9720	0.128	4	107.9900	8.596	9	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CH3)(CCH)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	110.7490	0.378	4	110.7490	0.143	4	107.9900	8.596	9	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	P-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(PCOO)(CH3)(CNO)(OH)	C(CCOP)(H)3	O(CCCP)(H)	C(PCOO)(CH3)(CNO)(OH)	C(CCOP)(H)3	O(CCCP)(H)	109.7160	0.000	1	109.7160	0.000	1	108.7430	1.893	2	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	P-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(PCOO)(CH3)(COO)(OH)	C(CCOP)(H)3	O(CCCP)(H)	C(PCOO)(CH3)(COO)(OH)	C(CCOP)(H)3	O(CCCP)(H)	107.7700	0.000	1	107.7700	0.000	1	108.7430	1.893	2	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:1:	Si-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(SiC3)(CH3)(COO)(OH)	C(CSiCO)(H)3	O(CSiCC)(H)	C(SiC3)(CH3)(COO)(OH)	C(CSiCO)(H)3	O(CSiCC)(H)	107.7255	2.128	2	107.7255	4.527	2	107.7255	4.527	2	108.2159	5.029	131	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:4:	C-4:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(CCHH)(CF3)(CNO)(OC)	C(CCCO)(F)3	O(CCHH)(CC3)	C(CCHH)(CF3)(CNO)(OC)	C(CCCO)(F)3	O(CCHH)(CC3)	103.0510	0.000	1	103.0510	0.000	1	103.0510	0.000	1	108.1553	15.728	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:4:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CC[6a]HN)(CH3)(COO)(OC)	C(CCCO)(H)3	O(CC3)(CH3)	C(CC[6a]HN)(CH3)(COO)(OC)	C(CCCO)(H)3	O(CC3)(CH3)	113.3870	0.000	1	113.3870	0.000	1	108.6210	19.456	11	108.1553	15.728	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:4:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(CCH)(OC)	C(CCCO)(H)3	O(CC3)(CH3)	C(CH3)2(CCH)(OC)	C(CCCO)(H)3	O(CC3)(CH3)	107.3280	5.201	2	107.3280	27.055	2	108.6210	19.456	11	108.1553	15.728	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:4:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(CCO)(OC)	C(CCCO)(H)3	O(CC3)(CH3)	C(CH3)2(CCO)(OC)	C(CCCO)(H)3	O(CC3)(CH3)	111.4460	0.675	4	111.4460	0.455	4	108.6210	19.456	11	108.1553	15.728	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:4:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CHHN)(CH3)(CNO)(OC)	C(CCCO)(H)3	O(CC3)(CH3)	C(CHHN)(CH3)(CNO)(OC)	C(CCCO)(H)3	O(CC3)(CH3)	105.2510	4.573	4	105.2510	20.909	4	108.6210	19.456	11	108.1553	15.728	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:4:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	Ge-4:C-4:	C(CH3)2(CCC)(OGe)	C(CCCO)(H)3	O(GeC[6a]2W)(CC3)	C(CH3)2(CCC)(OGe)	C(CCCO)(H)3	O(GeC[6a]2W)(CC3)	105.4770	1.919	2	105.4770	3.683	2	105.4770	3.683	2	108.1553	15.728	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:4:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CH3)2(CCN)(OSi)	C(CCCO)(H)3	O(SiC3)(CC3)	C(CH3)2(CCN)(OSi)	C(CCCO)(H)3	O(SiC3)(CC3)	109.7535	0.960	2	109.7535	0.921	2	109.7535	0.921	2	108.1553	15.728	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:1:1:1:	4:4:	C[5]-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[5]C[5]O[5]H)(CH3)(CCH)(OC)	C(CC[5]CO)(H)3	O(CC[6a]HH)(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)(CCH)(OC)	C(CC[5]CO)(H)3	O(CC[6a]HH)(CC[5]CC)	110.2970	0.000	1	110.2970	0.000	1	110.2970	0.000	1	108.1553	15.728	17	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:2:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CHHO)(CH3)(CCC)(OH)	C(CCCO)(OH)(H)2	O(CC3)(H)	C(CHHO)(CH3)(CCC)(OH)	C(CCCO)(OH)(H)2	O(CC3)(H)	107.1870	0.000	1	107.1870	0.000	1	107.1870	0.000	1	107.2670	0.268	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:2:1:1:	4:1:	C[5]-4:C-4:C-3:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CHHO)(CCO)(OH)	C(CC[5]CO)(OH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CHHO)(CCO)(OH)	C(CC[5]CO)(OH)(H)2	O(CC[5]CC)(H)	107.3150	0.890	2	107.3150	0.791	2	107.3150	0.791	2	107.2670	0.268	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:2:1:1:	4:1:	C[6]-4:C-4:C-3:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CHHO)(COO)(OH)	C(CC[6]CO)(OH)(H)2	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CHHO)(COO)(OH)	C(CC[6]CO)(OH)(H)2	O(CC[6]CC)(H)	107.2510	0.000	1	107.2510	0.000	1	107.2510	0.000	1	107.2670	0.268	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:3:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(COO)(OH)	C(CCCO)(COO)(H)2	O(CC3)(H)	C(CCCH)(CCHH)(COO)(OH)	C(CCCO)(COO)(H)2	O(CC3)(H)	106.3980	0.000	1	106.3980	0.000	1	109.2464	4.113	72	109.1661	4.527	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:3:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CF3)(CCH)(OH)	C(CCCO)(CCO)(H)2	O(CC3)(H)	C(CCHH)(CF3)(CCH)(OH)	C(CCCO)(CCO)(H)2	O(CC3)(H)	112.0650	0.000	1	112.0650	0.000	1	109.2464	4.113	72	109.1661	4.527	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:3:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CFFH)(COO)(OH)	C(CCCO)(CCC)(H)2	O(CC3)(H)	C(CCHH)(CFFH)(COO)(OH)	C(CCCO)(CCC)(H)2	O(CC3)(H)	112.2100	0.000	1	112.2100	0.000	1	109.2464	4.113	72	109.1661	4.527	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:3:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)2(COO)(OH)	C(CCCO)(COO)(H)2	O(CC3)(H)	C(CCHH)2(COO)(OH)	C(CCCO)(COO)(H)2	O(CC3)(H)	109.3003	2.008	64	109.3003	4.033	64	109.2464	4.113	72	109.1661	4.527	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:3:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CC[6a]CH)(CCHH)(COO)(OH)	C(CCCO)(CCO)(H)2	O(CC3)(H)	C(CC[6a]CH)(CCHH)(COO)(OH)	C(CCCO)(CCO)(H)2	O(CC3)(H)	108.5207	1.036	3	108.5207	1.073	3	109.2464	4.113	72	109.1661	4.527	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:3:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHH)(COO)(OH)	C(CCCO)(COO)(H)2	O(CC3)(H)	C(CC[6a]HH)(CCHH)(COO)(OH)	C(CCCO)(COO)(H)2	O(CC3)(H)	107.1460	0.584	2	107.1460	0.341	2	109.2464	4.113	72	109.1661	4.527	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:3:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(CH3)(CCH)(OH)	C(CCCO)(NHS)(H)2	O(CC3)(H)	C(CHHN)(CH3)(CCH)(OH)	C(CCCO)(NHS)(H)2	O(CC3)(H)	103.3840	0.000	1	103.3840	0.000	1	103.3840	0.000	1	109.1661	4.527	73	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:3:1:1:	4:4:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	Si-4:C-4:	C(CC[5a]CH)(CCHH)(COO)(OSi)	C(CCCO)(COO)(H)2	O(SiC3)(CC3)	C(CC[5a]CH)(CCHH)(COO)(OSi)	C(CCCO)(COO)(H)2	O(SiC3)(CC3)	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:3:2:1:	4:4:	C-4:C-4:C-3:O-2:	C-4:C-3:O-2:H-1:	Si-4:C-4:	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(COO)(OC)(H)	O(SiC3)(CC3)	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(COO)(OC)(H)	O(SiC3)(CC3)	105.6300	0.000	1	105.6300	0.000	1	105.4925	0.038	2	105.4925	0.038	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:3:2:1:	4:4:	C-4:C-4:C-3:O-2:	C-4:C-3:O-2:H-1:	Si-4:C-4:	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(COO)(OH)(H)	O(SiC3)(CC3)	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(COO)(OH)(H)	O(SiC3)(CC3)	105.3550	0.000	1	105.3550	0.000	1	105.4925	0.038	2	105.4925	0.038	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:3:3:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-3:C-3:H-1:	C-4:H-1:	C(CCCH)(CCHH)(COO)(OH)	C(CCCO)(CCH)(CNO)(H)	O(CC3)(H)	C(CCCH)(CCHH)(COO)(OH)	C(CCCO)(CCH)(CNO)(H)	O(CC3)(H)	111.4950	0.000	1	111.4950	0.000	1	111.4950	0.000	1	108.9087	2.976	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:3:3:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(CCHN)(CH3)(CCC)(OH)	C(CCCO)(COO)(NHS)(H)	O(CC3)(H)	C(CCHN)(CH3)(CCC)(OH)	C(CCCO)(COO)(NHS)(H)	O(CC3)(H)	108.0090	0.000	2	108.0090	0.000	2	108.0467	0.004	3	108.9087	2.976	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:3:3:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-3:N-3:H-1:	C-4:H-1:	C(CC[6a]HH)(CCHN)(COO)(OH)	C(CCCO)(COO)(NHS)(H)	O(CC3)(H)	C(CC[6a]HH)(CCHN)(COO)(OH)	C(CCCO)(COO)(NHS)(H)	O(CC3)(H)	108.1220	0.000	1	108.1220	0.000	1	108.0467	0.004	3	108.9087	2.976	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:3:3:2:	4:4:	C-4:C-4:C-3:O-2:	C-4:C-3:C-3:O-2:	Si-4:C-4:	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(CCH)(COO)(OSi)	O(SiC3)(CC3)	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(CCH)(COO)(OSi)	O(SiC3)(CC3)	106.5440	0.000	1	106.5440	0.000	1	106.5440	0.000	1	106.5440	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:Br-1:H-1:	C-4:H-1:	C(CBrCH)(CCHO)(COO)(OH)	C(CCCO)(CCHH)(Br)(H)	O(CC3)(H)	C(CBrCH)(CCHO)(COO)(OH)	C(CCCO)(CCHH)(Br)(H)	O(CC3)(H)	111.6870	0.000	1	111.6870	0.000	1	110.8145	1.523	2	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:Br-1:H-1:	C-4:H-1:	C(CC[6a]HO)(CBrCH)(COO)(OH)	C(CC[6a]HH)(CCCO)(Br)(H)	O(CC3)(H)	C(CC[6a]HO)(CBrCH)(COO)(OH)	C(CC[6a]HH)(CCCO)(Br)(H)	O(CC3)(H)	109.9420	0.000	1	109.9420	0.000	1	110.8145	1.523	2	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:Cl-1:H-1:	C-4:H-1:	C(CClCH)(CH3)(COO)(OH)	C(CCCO)(CH3)(Cl)(H)	O(CC3)(H)	C(CClCH)(CH3)(COO)(OH)	C(CCCO)(CH3)(Cl)(H)	O(CC3)(H)	111.1700	0.000	1	111.1700	0.000	1	111.1700	0.000	1	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(CCH)(OH)	C(CC[5]HH)(CCCO)(H)2	O(CC3)(H)	C(CCCH)(CCHH)(CCH)(OH)	C(CC[5]HH)(CCCO)(H)2	O(CC3)(H)	110.6280	0.000	1	110.6280	0.000	1	107.4689	6.097	18	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(COO)(OH)	C(CC[6]HH)(CCCO)(H)2	O(CC3)(H)	C(CCCH)(CCHH)(COO)(OH)	C(CC[6]HH)(CCCO)(H)2	O(CC3)(H)	103.6540	0.000	1	103.6540	0.000	1	107.4689	6.097	18	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(COO)(OH)	C(CC[6a]CH)(CCCO)(H)2	O(CC3)(H)	C(CCCH)(CCHH)(COO)(OH)	C(CC[6a]CH)(CCCO)(H)2	O(CC3)(H)	102.9340	0.000	1	102.9340	0.000	1	107.4689	6.097	18	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(COO)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CCHH)(CCHO)(COO)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	110.1370	0.000	1	110.1370	0.000	1	107.4689	6.097	18	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(CCH)(OH)	C(CCCH)(CCCO)(H)2	O(CC3)(H)	C(CCHH)(CH3)(CCH)(OH)	C(CCCH)(CCCO)(H)2	O(CC3)(H)	109.3745	1.975	2	109.3745	3.900	2	107.4689	6.097	18	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(CCH)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CCHH)(CH3)(CCH)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	109.1530	2.399	2	109.1530	5.753	2	107.4689	6.097	18	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(CCH)(OH)	C(CCCO)(CCHO)(H)2	O(CC3)(H)	C(CCHH)(CH3)(CCH)(OH)	C(CCCO)(CCHO)(H)2	O(CC3)(H)	104.3600	0.000	1	104.3600	0.000	1	107.4689	6.097	18	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(CCH)(OH)	C(CC[3]HH)(CCCO)(H)2	O(CC3)(H)	C(CCHH)(CH3)(CCH)(OH)	C(CC[3]HH)(CCCO)(H)2	O(CC3)(H)	107.7990	0.000	1	107.7990	0.000	1	107.4689	6.097	18	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(CCH)(OH)	C(CC[6]HH)(CCCO)(H)2	O(CC3)(H)	C(CCHH)(CH3)(CCH)(OH)	C(CC[6]HH)(CCCO)(H)2	O(CC3)(H)	108.4670	1.970	2	108.4670	3.881	2	107.4689	6.097	18	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(CCC)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CCHH)2(CCC)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	108.4140	0.000	1	108.4140	0.000	1	107.4689	6.097	18	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(CCC)(OH)	C(CCCO)(CH3)(H)2	O(CC3)(H)	C(CCHH)2(CCC)(OH)	C(CCCO)(CH3)(H)2	O(CC3)(H)	104.1860	0.000	1	104.1860	0.000	1	107.4689	6.097	18	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(COO)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CCHH)2(COO)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	107.5485	0.278	2	107.5485	0.077	2	107.4689	6.097	18	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HO)(CCHH)(CCH)(OH)	C(CCCO)(CH3)(H)2	O(CC3)(H)	C(CC[6a]HO)(CCHH)(CCH)(OH)	C(CCCO)(CH3)(H)2	O(CC3)(H)	106.6215	0.039	2	106.6215	0.002	2	107.4689	6.097	18	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CCCH)(COO)(OH)	C(C[5]C[5]N[5]H)(CCCO)(H)2	O(CC3)(H)	C(CC[5]HH)(CCCH)(COO)(OH)	C(C[5]C[5]N[5]H)(CCCO)(H)2	O(CC3)(H)	113.6120	0.000	1	113.6120	0.000	1	113.6120	0.000	1	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:O-2:	S-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHS)(CH3)(CNO)(OH)	C(SC[6a]OO)(CCCO)(H)2	O(CC3)(H)	C(CHHS)(CH3)(CNO)(OH)	C(SC[6a]OO)(CCCO)(H)2	O(CC3)(H)	110.3628	1.636	5	110.3628	2.678	5	110.3628	2.678	5	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C-4:Si-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(SiC3)(CHO)(OH)	C(CN[5a]HH)(CSiCO)(H)2	O(CSiCC)(H)	C(CCHH)(SiC3)(CHO)(OH)	C(CN[5a]HH)(CSiCO)(H)2	O(CSiCC)(H)	109.7420	0.000	1	109.7420	0.000	1	109.7420	0.000	1	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-3:O-2:	C-4:C-4:Br-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	C(CC[6a]HH)(CC[5]CO)(Br)(H)	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	C(CC[6a]HH)(CC[5]CO)(Br)(H)	O(CC[5]CC)(H)	110.8990	0.000	1	110.8990	0.000	1	110.8990	0.000	1	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(CCH)(OH)	C(CC[5]CO)(CH3)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CCHH)(CCH)(OH)	C(CC[5]CO)(CH3)(H)2	O(CC[5]CC)(H)	110.7180	0.000	1	110.7180	0.000	1	110.7180	0.000	1	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-3:O-2:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHN)(COO)(OH)	C(CC[5]CO)(NCCH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CHHN)(COO)(OH)	C(CC[5]CO)(NCCH)(H)2	O(CC[5]CC)(H)	110.7305	0.170	2	110.7305	0.029	2	110.7305	0.029	2	108.9214	6.866	32	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:4:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CF3)(CNO)(OC)	C(CCCH)(CCCO)(H)2	O(CCHH)(CC3)	C(CCHH)(CF3)(CNO)(OC)	C(CCCH)(CCCO)(H)2	O(CCHH)(CC3)	114.3800	0.000	1	114.3800	0.000	1	114.3690	0.000	2	109.9082	23.257	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:4:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]CO)(CCHH)(CCH)(OC)	C(CCCO)(CH3)(H)2	O(CCHH)(CC3)	C(CC[6a]CO)(CCHH)(CCH)(OC)	C(CCCO)(CH3)(H)2	O(CCHH)(CC3)	114.3580	0.000	1	114.3580	0.000	1	114.3690	0.000	2	109.9082	23.257	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:1:1:	4:4:	C-4:C-4:C-3:O-2:	N-4:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(CH3)(CNO)(OC)	C(NCoCC)(CCCO)(H)2	O(CC3)(CH3)	C(CHHN)(CH3)(CNO)(OC)	C(NCoCC)(CCCO)(H)2	O(CC3)(CH3)	107.6778	4.343	4	107.6778	18.863	4	107.6778	18.863	4	109.9082	23.257	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:2:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CBrCH)(CCHO)(COO)(OH)	C(CCCO)(CCHH)(OH)(H)	O(CC3)(H)	C(CBrCH)(CCHO)(COO)(OH)	C(CCCO)(CCHH)(OH)(H)	O(CC3)(H)	104.8640	0.000	1	104.8640	0.000	1	108.7645	7.186	6	109.2535	5.138	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:2:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(COO)(OH)	C(CCCH)(CCCO)(OH)(H)	O(CC3)(H)	C(CCHH)(CCHO)(COO)(OH)	C(CCCH)(CCCO)(OH)(H)	O(CC3)(H)	108.3250	0.000	1	108.3250	0.000	1	108.7645	7.186	6	109.2535	5.138	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:2:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CH3)(CCH)(OH)	C(CCCH)(CCCO)(OH)(H)	O(CC3)(H)	C(CCHO)(CH3)(CCH)(OH)	C(CCCH)(CCCO)(OH)(H)	O(CC3)(H)	110.8430	1.174	2	110.8430	1.378	2	108.7645	7.186	6	109.2535	5.138	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:2:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CH3)(CCH)(OH)	C(CC[6]HH)(CCCO)(OH)(H)	O(CC3)(H)	C(CCHO)(CH3)(CCH)(OH)	C(CC[6]HH)(CCCO)(OH)(H)	O(CC3)(H)	106.5660	0.000	1	106.5660	0.000	1	108.7645	7.186	6	109.2535	5.138	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:2:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CH3)(CNO)(OH)	C(CCCO)(CH3)(OH)(H)	O(CC3)(H)	C(CCHO)(CH3)(CNO)(OH)	C(CCCO)(CH3)(OH)(H)	O(CC3)(H)	111.1460	0.000	1	111.1460	0.000	1	108.7645	7.186	6	109.2535	5.138	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:2:1:	4:1:	C-4:C-4:C-3:O-2:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[3]HO)(CH3)(CCC)(OH)	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	O(CC3)(H)	C(CC[3]HO)(CH3)(CCC)(OH)	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	O(CC3)(H)	106.9030	0.000	1	106.9030	0.000	1	106.9030	0.000	1	109.2535	5.138	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:2:1:	4:1:	C-4:C-4:C-3:O-2:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CH3)(CCO)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	O(CC3)(H)	C(CC[5]HO)(CH3)(CCO)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	O(CC3)(H)	110.5747	0.708	4	110.5747	0.501	4	110.5747	0.501	4	109.2535	5.138	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:2:1:	4:4:	C-4:C-4:C-3:O-2:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(CCHO)(OSi)(H)	O(SiC3)(CC3)	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(CCHO)(OSi)(H)	O(SiC3)(CC3)	105.3830	0.000	1	105.3830	0.000	1	105.3830	0.000	1	105.3830	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:3:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-3:Br-1:	C-4:H-1:	C(CBrCC)(CH3)(COO)(OH)	C(CCCO)(CH3)(COO)(Br)	O(CC3)(H)	C(CBrCC)(CH3)(COO)(OH)	C(CCCO)(CH3)(COO)(Br)	O(CC3)(H)	108.9110	0.105	2	108.9110	0.011	2	108.9110	0.011	2	109.3206	0.536	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:3:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CCHH)(COO)(OH)	C(CCCO)(CCHH)(COO)(H)	O(CC3)(H)	C(CCCH)(CCHH)(COO)(OH)	C(CCCO)(CCHH)(COO)(H)	O(CC3)(H)	108.5700	0.000	1	108.5700	0.000	1	109.3170	1.116	2	109.3206	0.536	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:3:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CH3)(CCO)(OH)	C(CCCO)(CH3)(CCH)(H)	O(CC3)(H)	C(CCCH)(CH3)(CCO)(OH)	C(CCCO)(CH3)(CCH)(H)	O(CC3)(H)	110.0640	0.000	1	110.0640	0.000	1	109.3170	1.116	2	109.3206	0.536	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:3:1:	4:1:	C-4:Si-4:C-3:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(SiC3)(COO)(OH)	C(CSiCO)(CH3)(CCH)(H)	O(CSiCC)(H)	C(CCCH)(SiC3)(COO)(OH)	C(CSiCO)(CH3)(CCH)(H)	O(CSiCC)(H)	110.1470	0.000	1	110.1470	0.000	1	110.1470	0.000	1	109.3206	0.536	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:3:2:	4:1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:C-4:C-3:O-2:	C-4:H-1:	C(C[6]C[6]2H)(CC[6]CO)(COO)(OH)	C(C[6]C[6]2H)(CC[6]CO)(COO)(OH)	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CC[6]CO)(COO)(OH)	C(C[6]C[6]2H)(CC[6]CO)(COO)(OH)	O(CC[6]CC)(H)	110.5470	3.066	2	110.5470	9.400	2	110.5470	9.400	2	110.5470	9.400	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:3:2:	4:4:	C-4:C-4:C-3:O-2:	C-4:C-4:C-3:O-2:	Si-4:C-4:	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(CCHO)(COO)(OSi)	O(SiC3)(CC3)	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(CCHO)(COO)(OSi)	O(SiC3)(CC3)	105.5340	2.449	2	105.5340	6.000	2	105.5340	6.000	2	105.5340	6.000	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:4:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)(CCH)(OH)	C(CC[5]HH)(CCCO)(CH3)(H)	O(CC3)(H)	C(CCCH)(CCHH)(CCH)(OH)	C(CC[5]HH)(CCCO)(CH3)(H)	O(CC3)(H)	107.1720	0.000	1	107.1720	0.000	1	108.7923	3.694	6	108.7923	3.694	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:4:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)(COO)(OH)	C(CCCO)(CCHH)2(H)	O(CC3)(H)	C(CCCH)(CCHH)(COO)(OH)	C(CCCO)(CCHH)2(H)	O(CC3)(H)	111.7310	0.000	1	111.7310	0.000	1	108.7923	3.694	6	108.7923	3.694	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:4:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CH3)(COO)(OH)	C(CCCH)(CCCO)(CH3)(H)	O(CC3)(H)	C(CCCH)(CH3)(COO)(OH)	C(CCCH)(CCCO)(CH3)(H)	O(CC3)(H)	108.1855	2.244	2	108.1855	5.034	2	108.7923	3.694	6	108.7923	3.694	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:4:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CH3)(COO)(OH)	C(CCCO)(CH3)2(H)	O(CC3)(H)	C(CCCH)(CH3)(COO)(OH)	C(CCCO)(CH3)2(H)	O(CC3)(H)	109.5860	0.000	1	109.5860	0.000	1	108.7923	3.694	6	108.7923	3.694	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:4:1:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]HH)(CCCH)(COO)(OH)	C(CCCO)(CH3)2(H)	O(CC3)(H)	C(CC[5]HH)(CCCH)(COO)(OH)	C(CCCO)(CH3)2(H)	O(CC3)(H)	107.8940	0.000	1	107.8940	0.000	1	108.7923	3.694	6	108.7923	3.694	6	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:4:2:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CF3)(COO)(OH)	C(CC[6a]HO)(CCCO)(CCHH)(OH)	O(CC3)(H)	C(CCCO)(CF3)(COO)(OH)	C(CC[6a]HO)(CCCO)(CCHH)(OH)	O(CC3)(H)	108.0315	0.279	2	108.0315	0.078	2	108.0315	0.078	2	108.0315	0.078	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:4:3:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(CH3)(CCC)(OH)	C(CCCO)(CCHH)(CCHO)(NHS)	O(CC3)(H)	C(CCCN)(CH3)(CCC)(OH)	C(CCCO)(CCHH)(CCHO)(NHS)	O(CC3)(H)	109.2700	0.000	1	109.2700	0.000	1	109.2700	0.000	1	109.2700	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:3:2:	4:4:4:4:	4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CC3)(CH3)(CCH)(OH)	C(CCCO)(CH3)3	O(CC3)(H)	C(CC3)(CH3)(CCH)(OH)	C(CCCO)(CH3)3	O(CC3)(H)	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	2:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	N-2:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(CH3)2(OH)	C(NC[6])(CCCO)(H)2	O(CC3)(H)	C(CHHN)(CH3)2(OH)	C(NC[6])(CCCO)(H)2	O(CC3)(H)	107.3880	0.000	1	107.3880	0.000	1	107.3880	0.000	1	107.3880	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	2:4:1:1:	4:4:	C-4:C-4:C-4:O-2:	S-2:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CHHS)(CH3)(OC)	C(SC[6a])(CCCO)(H)2	O(CC3)(CH3)	C(CCHH)(CHHS)(CH3)(OC)	C(SC[6a])(CCCO)(H)2	O(CC3)(CH3)	103.9760	0.000	1	103.9760	0.000	1	103.9760	0.000	1	103.9760	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	2:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:H-1:	C-4:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(OC[6])(CCCH)(CCCO)(H)	O(CC3)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(OC[6])(CCCH)(CCCO)(H)	O(CC3)(H)	109.4940	0.000	1	109.4940	0.000	1	108.6942	3.920	4	108.6942	3.920	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	2:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:H-1:	C-4:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(OC[6])(CCCO)(CCHH)(H)	O(CC3)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(OC[6])(CCCO)(CCHH)(H)	O(CC3)(H)	105.7310	0.000	1	105.7310	0.000	1	108.6942	3.920	4	108.6942	3.920	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	2:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:H-1:	C-4:H-1:	C(CCHO)(CH3)2(OH)	C(OC[6])(CCCO)(CCHH)(H)	O(CC3)(H)	C(CCHO)(CH3)2(OH)	C(OC[6])(CCCO)(CCHH)(H)	O(CC3)(H)	109.7760	0.000	2	109.7760	0.000	2	108.6942	3.920	4	108.6942	3.920	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	2:4:4:1:	4:4:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:H-1:	C-4:C-4:	C(CCHH)(CCHO)(CH3)(OC)	C(OC[6])(CCCH)(CCCO)(H)	O(CC3)(CH3)	C(CCHH)(CCHO)(CH3)(OC)	C(OC[6])(CCCH)(CCCO)(H)	O(CC3)(CH3)	108.4840	1.389	2	108.4840	1.929	2	108.4840	1.929	2	108.4840	1.929	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	2:4:4:4:	4:1:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:C-4:	C-4:H-1:	C(CCCO)(CH3)2(OH)	C(OB[5])(CCCO)(CH3)2	O(CC3)(H)	C(CCCO)(CH3)2(OH)	C(OB[5])(CCCO)(CH3)2	O(CC3)(H)	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:3:4:1:	4:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]2H)(CH3)2(OH)	C(C[6a]C[6a]2)2(CCCO)(H)	O(CC3)(H)	C(CC[6a]2H)(CH3)2(OH)	C(C[6a]C[6a]2)2(CCCO)(H)	O(CC3)(H)	109.7780	0.000	1	109.7780	0.000	1	108.0413	2.968	3	109.1055	6.508	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:3:4:1:	4:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]2H)2(CH3)(OH)	C(C[6a]C[6a]2)2(CCCO)(H)	O(CC3)(H)	C(CC[6a]2H)2(CH3)(OH)	C(C[6a]C[6a]2)2(CCCO)(H)	O(CC3)(H)	107.1730	1.188	2	107.1730	1.411	2	108.0413	2.968	3	109.1055	6.508	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:3:4:1:	4:1:	C-4:C-4:C-4:O-2:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:H-1:	C(CC[6a]N[5a]H)(CH3)2(OH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	O(CC3)(H)	C(CC[6a]N[5a]H)(CH3)2(OH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	O(CC3)(H)	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	109.1055	6.508	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-3:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)2(OH)	C(CC[5]O)(CCCO)(H)2	O(CC3)(H)	C(CCCH)(CCHH)2(OH)	C(CC[5]O)(CCCO)(H)2	O(CC3)(H)	109.4900	0.000	1	109.4900	0.000	1	109.4900	0.000	1	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CF3)(CH3)(OH)	C(C[6]C[5a,6]N[6])(CCCO)(H)2	O(CC3)(H)	C(CC[6]HH)(CF3)(CH3)(OH)	C(C[6]C[5a,6]N[6])(CCCO)(H)2	O(CC3)(H)	107.4140	0.000	1	107.4140	0.000	1	107.4140	0.000	1	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	O(CC3)(H)	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	O(CC3)(H)	104.0410	0.000	1	104.0410	0.000	1	105.2875	0.734	4	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	O(CC3)(H)	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	O(CC3)(H)	105.7030	0.255	3	105.7030	0.065	3	105.2875	0.734	4	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CCHH)(CC3)(OH)	C(N[5]C[5]N[5])(CCCO)(H)2	O(CC3)(H)	C(CN[5]HH)(CCHH)(CC3)(OH)	C(N[5]C[5]N[5])(CCCO)(H)2	O(CC3)(H)	108.3445	1.187	2	108.3445	1.410	2	109.6795	1.400	8	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CH3)2(OH)	C(N[5]C[5]2)(CCCO)(H)2	O(CC3)(H)	C(CN[5]HH)(CH3)2(OH)	C(N[5]C[5]2)(CCCO)(H)2	O(CC3)(H)	110.1245	0.853	6	110.1245	0.728	6	109.6795	1.400	8	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(N[5a]C[5a]2)(CCCO)(H)2	O(CC3)(H)	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(N[5a]C[5a]2)(CCCO)(H)2	O(CC3)(H)	108.4140	0.000	1	108.4140	0.000	1	107.8097	4.737	3	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(CH3)2(OH)	C(N[5a]N[5a]2)(CCCO)(H)2	O(CC3)(H)	C(CN[5a]HH)(CH3)2(OH)	C(N[5a]N[5a]2)(CCCO)(H)2	O(CC3)(H)	107.5075	2.988	2	107.5075	8.925	2	107.8097	4.737	3	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(CH3)2(OH)	C(N[6]C[6]2)(CCCO)(H)2	O(CC3)(H)	C(CN[6]HH)(CH3)2(OH)	C(N[6]C[6]2)(CCCO)(H)2	O(CC3)(H)	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:C-4:P-4:O-2:	C-3:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(PO3)(OH)	C(CC[6a]O)(CCOP)(H)2	O(CCCP)(H)	C(CCHH)(CH3)(PO3)(OH)	C(CC[6a]O)(CCOP)(H)2	O(CCCP)(H)	106.3320	0.000	1	106.3320	0.000	1	106.3320	0.000	1	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:P-4:P-4:O-2:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[5a]HH)(PO3)2(OH)	C(C[5a]N[5a,6]C[5a])(COPP)(H)2	O(CCPP)(H)	C(CC[5a]HH)(PO3)2(OH)	C(C[5a]N[5a,6]C[5a])(COPP)(H)2	O(CCPP)(H)	112.4830	0.000	1	112.4830	0.000	1	112.4830	0.000	1	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:P-4:P-4:O-2:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(PO3)2(OH)	C(C[6]C[6]2)(COPP)(H)2	O(CCPP)(H)	C(CC[6]HH)(PO3)2(OH)	C(C[6]C[6]2)(COPP)(H)2	O(CCPP)(H)	109.7080	2.612	2	109.7080	6.823	2	109.7080	6.823	2	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:P-4:P-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(H)2	O(CCPP)(H)	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(H)2	O(CCPP)(H)	107.8815	2.586	6	107.8815	6.685	6	107.6514	5.942	7	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:P-4:P-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]N[5])(COPP)(H)2	O(CCPP)(H)	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]N[5])(COPP)(H)2	O(CCPP)(H)	106.2710	0.000	1	106.2710	0.000	1	107.6514	5.942	7	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:P-4:P-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(PO3)2(OH)	C(N[5a]C[5a]N[5a])(COPP)(H)2	O(CCPP)(H)	C(CN[5a]HH)(PO3)2(OH)	C(N[5a]C[5a]N[5a])(COPP)(H)2	O(CCPP)(H)	107.1190	0.000	1	107.1190	0.000	1	107.1190	0.000	1	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C-4:P-4:P-4:O-2:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(PO3)2(OH)	C(N[6]C[6]2)(COPP)(H)2	O(CCPP)(H)	C(CN[6]HH)(PO3)2(OH)	C(N[6]C[6]2)(COPP)(H)2	O(CCPP)(H)	105.5430	0.000	1	105.5430	0.000	1	105.5430	0.000	1	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C[3x6]-4:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[3x6]C[6,6]3)(CC[6a]HH)2(OH)	C(C[6a]C[6a]2)(CC[3x6]CO)(H)2	O(CC[3x6]CC)(H)	C(C[3x6]C[6,6]3)(CC[6a]HH)2(OH)	C(C[6a]C[6a]2)(CC[3x6]CO)(H)2	O(CC[3x6]CC)(H)	109.2680	2.212	4	109.2680	4.895	4	109.2680	4.895	4	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CC[6a]HH)2(OH)	C(C[6a]C[6a]2)(CC[5]CO)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]N[5]H)(CC[6a]HH)2(OH)	C(C[6a]C[6a]2)(CC[5]CO)(H)2	O(CC[5]CC)(H)	107.4980	2.892	2	107.4980	8.364	2	107.4980	8.364	2	108.2706	5.247	37	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:4:	C-4:C-4:C-4:O-2:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:	C(CC[6]HH)(CH3)2(OP)	C(C[6]C[6]N[6])(CCCO)(H)2	O(PC[6a]2Ni)(CC3)	C(CC[6]HH)(CH3)2(OP)	C(C[6]C[6]N[6])(CCCO)(H)2	O(PC[6a]2Ni)(CC3)	115.0310	0.000	1	115.0310	0.000	1	115.0310	0.000	1	109.3543	6.494	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:4:	C-4:C-4:C-4:O-2:	N-3:C-4:H-1:H-1:	Ge-4:C-4:	C(CHHN)(CH3)2(OGe)	C(NC[6a]C)(CCCO)(H)2	O(GeClOO)(CC3)	C(CHHN)(CH3)2(OGe)	C(NC[6a]C)(CCCO)(H)2	O(GeClOO)(CC3)	108.2862	0.583	4	108.2862	0.340	4	108.4082	0.274	6	109.3543	6.494	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:1:1:	4:4:	C-4:C-4:C-4:O-2:	N-3:C-4:H-1:H-1:	Ge-4:C-4:	C(CHHN)(CH3)2(OGe)	C(NC[6a]C)(CCCO)(H)2	O(GeHOO)(CC3)	C(CHHN)(CH3)2(OGe)	C(NC[6a]C)(CCCO)(H)2	O(GeHOO)(CC3)	108.6520	0.413	2	108.6520	0.171	2	108.4082	0.274	6	109.3543	6.494	7	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	O(CC3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	O(CC3)(H)	107.1760	1.052	3	107.1760	1.108	3	108.4972	4.185	5	108.4972	4.185	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	O(CC3)(H)	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	O(CC3)(H)	110.4790	1.198	2	110.4790	1.435	2	108.4972	4.185	5	108.4972	4.185	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:3:1:	4:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(CCO)(H)	O(CC3)(H)	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(CCO)(H)	O(CC3)(H)	110.6300	0.000	1	110.6300	0.000	1	110.6300	0.000	1	110.6300	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C-3:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)(CH3)(OH)	C(CC[6]H)(CCCO)(CHHO)(H)	O(CC3)(H)	C(CCCH)(CCHH)(CH3)(OH)	C(CC[6]H)(CCCO)(CHHO)(H)	O(CC3)(H)	104.6310	0.000	1	104.6310	0.000	1	108.3260	6.306	4	106.3219	6.145	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C-3:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)(CH3)(OH)	C(CN[6]O)(CCCO)(CH3)(H)	O(CC3)(H)	C(CCCH)(CCHH)(CH3)(OH)	C(CN[6]O)(CCCO)(CH3)(H)	O(CC3)(H)	110.0080	0.000	1	110.0080	0.000	1	108.3260	6.306	4	106.3219	6.145	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C-3:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)2(CCHH)(OH)	C(CN[5]O)(CCCO)(CH3)(H)	O(CC3)(H)	C(CCCH)2(CCHH)(OH)	C(CN[5]O)(CCCO)(CH3)(H)	O(CC3)(H)	109.3325	0.640	2	109.3325	0.410	2	108.3260	6.306	4	106.3219	6.145	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]CH)(CH3)2(OH)	C(C[5]C[5]2)(CCCO)(CCHH)(H)	O(CC3)(H)	C(CC[5]CH)(CH3)2(OH)	C(C[5]C[5]2)(CCCO)(CCHH)(H)	O(CC3)(H)	106.2400	0.000	2	106.2400	0.000	2	106.2400	0.000	2	106.3219	6.145	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	O(CC3)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	O(CC3)(H)	103.4730	0.000	1	103.4730	0.000	1	104.3588	1.630	4	106.3219	6.145	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	O(CC3)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	O(CC3)(H)	103.3420	0.000	1	103.3420	0.000	1	104.3588	1.630	4	106.3219	6.145	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	O(CC3)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	O(CC3)(H)	105.3100	1.123	2	105.3100	1.261	2	104.3588	1.630	4	106.3219	6.145	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:4:1:	4:4:	C-4:C-4:C-4:O-2:	C-3:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)2(CH3)(OC)	C(CN[5]O)(CCCO)(CH3)(H)	O(CC3)(CH3)	C(CCCH)2(CH3)(OC)	C(CN[5]O)(CCCO)(CH3)(H)	O(CC3)(CH3)	111.8700	0.000	1	111.8700	0.000	1	111.8700	0.000	1	107.8313	7.253	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:4:1:	4:4:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:	C(CC[6a]CH)(CH3)2(OC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	O(CC3)(CH3)	C(CC[6a]CH)(CH3)2(OC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	O(CC3)(CH3)	106.4850	0.067	3	106.4850	0.004	3	106.4850	0.004	3	107.8313	7.253	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	3:4:4:4:	4:1:	C-4:P-4:P-4:O-2:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:	C(CN[5]CC)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(CH3)2	O(CCPP)(H)	C(CN[5]CC)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(CH3)2	O(CCPP)(H)	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	O-2:C-4:	C(CH3)3(OO)	C(CCCO)(H)3	O(OC[5,6,6])(CC3)	C(CH3)3(OO)	C(CCCO)(H)3	O(OC[5,6,6])(CC3)	107.0426	4.461	36	107.0426	19.898	36	107.1126	20.212	110	107.1126	20.212	110	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	O-2:C-4:	C(CH3)3(OO)	C(CCCO)(H)3	O(OC[5,6])(CC3)	C(CH3)3(OO)	C(CCCO)(H)3	O(OC[5,6])(CC3)	106.9764	4.720	30	106.9764	22.278	30	107.1126	20.212	110	107.1126	20.212	110	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	O-2:C-4:	C(CH3)3(OO)	C(CCCO)(H)3	O(OC[5])(CC3)	C(CH3)3(OO)	C(CCCO)(H)3	O(OC[5])(CC3)	107.3011	4.459	41	107.3011	19.884	41	107.1126	20.212	110	107.1126	20.212	110	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	O-2:C-4:	C(CH3)3(OO)	C(CCCO)(H)3	O(OC[6])(CC3)	C(CH3)3(OO)	C(CCCO)(H)3	O(OC[6])(CC3)	106.7383	5.598	3	106.7383	31.334	3	107.1126	20.212	110	107.1126	20.212	110	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	O-3:C-4:	C(CH3)3(OO)	C(CCCO)(H)3	O(OZn2)(CC3)	C(CH3)3(OO)	C(CCCO)(H)3	O(OZn2)(CC3)	107.3160	4.749	3	107.3160	22.557	3	107.3160	22.557	3	107.3160	22.557	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:Br-1:H-1:H-1:	C-4:H-1:	C(CBrHH)(CCHH)(CCHO)(OH)	C(CCCO)(Br)(H)2	O(CC3)(H)	C(CBrHH)(CCHH)(CCHO)(OH)	C(CCCO)(Br)(H)2	O(CC3)(H)	108.9930	0.000	1	108.9930	0.000	1	106.6835	10.668	2	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:Br-1:H-1:H-1:	C-4:H-1:	C(CBrHH)(CCHO)(CH3)(OH)	C(CCCO)(Br)(H)2	O(CC3)(H)	C(CBrHH)(CCHO)(CH3)(OH)	C(CCCO)(Br)(H)2	O(CC3)(H)	104.3740	0.000	1	104.3740	0.000	1	106.6835	10.668	2	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CC3)(CF3)2(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CC3)(CF3)2(OH)	C(CCCO)(F)3	O(CC3)(H)	105.6025	3.893	2	105.6025	15.153	2	107.5761	4.008	50	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CCHH)(CF3)2(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CCHH)(CF3)2(OH)	C(CCCO)(F)3	O(CC3)(H)	107.8948	1.994	22	107.8948	3.978	22	107.5761	4.008	50	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CCHO)(CHHO)(CF3)(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CCHO)(CHHO)(CF3)(OH)	C(CCCO)(F)3	O(CC3)(H)	102.5610	0.000	1	102.5610	0.000	1	107.5761	4.008	50	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CC[5,6]HH)(CF3)2(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CC[5,6]HH)(CF3)2(OH)	C(CCCO)(F)3	O(CC3)(H)	107.1437	1.432	8	107.1437	2.051	8	107.5761	4.008	50	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CC[6]HH)(CF3)(CH3)(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CC[6]HH)(CF3)(CH3)(OH)	C(CCCO)(F)3	O(CC3)(H)	106.8610	0.000	1	106.8610	0.000	1	107.5761	4.008	50	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CHHN)(CF3)2(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CHHN)(CF3)2(OH)	C(CCCO)(F)3	O(CC3)(H)	107.9991	1.291	8	107.9991	1.666	8	107.5761	4.008	50	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(CHHP)(CF3)2(OH)	C(CCCO)(F)3	O(CC3)(H)	C(CHHP)(CF3)2(OH)	C(CCCO)(F)3	O(CC3)(H)	107.9188	2.143	8	107.9188	4.591	8	107.5761	4.008	50	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:H-1:	C-4:H-1:	C(CCHN)(CFFH)(CH3)(OH)	C(CCCO)(F)2(H)	O(CC3)(H)	C(CCHN)(CFFH)(CH3)(OH)	C(CCCO)(F)2(H)	O(CC3)(H)	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CBrHH)(CCHO)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CBrHH)(CCHO)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	106.8570	0.000	1	106.8570	0.000	1	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCCH)(CCHH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	109.6215	1.255	2	109.6215	1.575	2	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCCH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCCH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	108.0471	1.937	14	108.0471	3.753	14	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	108.2345	3.051	2	108.2345	9.310	2	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCCO)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCCO)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	107.2876	2.002	46	107.2876	4.010	46	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	108.5846	1.780	11	108.5846	3.169	11	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCHH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	107.6743	2.154	32	107.6743	4.638	32	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHO)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCHH)(CHHO)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	108.9652	2.163	4	108.9652	4.679	4	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHH)2(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCHH)2(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	105.9890	0.000	1	105.9890	0.000	1	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHN)(CFFH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCHN)(CFFH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	107.1080	0.000	1	107.1080	0.000	1	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHN)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCHN)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	108.3775	2.162	4	108.3775	4.673	4	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHO)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCHO)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	107.8268	2.005	25	107.8268	4.021	25	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHO)2(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCHO)2(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	106.8313	0.844	3	106.8313	0.712	3	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[5]CH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[5]CH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	109.7985	0.394	4	109.7985	0.155	4	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CCHH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[5]HH)(CCHH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	107.7460	0.000	1	107.7460	0.000	1	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CCHO)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[5]HH)(CCHO)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	105.4370	0.000	1	105.4370	0.000	1	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	109.9489	1.024	8	109.9489	1.049	8	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[5]HO)(CCHH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[5]HO)(CCHH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	110.2120	0.176	3	110.2120	0.031	3	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[5]HO)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[5]HO)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	107.7518	2.608	10	107.7518	6.804	10	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6]CH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6]CH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	108.5410	1.245	2	108.5410	1.549	2	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CF3)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6]HH)(CF3)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	113.1890	0.000	1	113.1890	0.000	1	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6]HH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	106.9805	2.859	2	106.9805	8.173	2	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6]HN)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6]HN)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	107.7275	0.590	2	107.7275	0.349	2	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6]HO)(CCHH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6]HO)(CCHH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	107.5095	2.067	2	107.5095	4.272	2	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6]HO)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6]HO)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	107.5170	1.742	2	107.5170	3.036	2	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]2H)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6a]2H)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	106.9100	0.495	2	106.9100	0.245	2	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]2H)2(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6a]2H)2(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	108.6940	0.000	1	108.6940	0.000	1	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	107.9948	1.853	4	107.9948	3.434	4	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	110.2560	0.000	1	110.2560	0.000	1	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	109.2687	0.401	3	109.2687	0.160	3	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(CCCO)(H)3	O(CC3)(H)	105.3183	0.935	3	105.3183	0.875	3	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CC[6a]N[5a]H)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CC[6a]N[5a]H)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	107.9475	2.295	2	107.9475	5.265	2	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCo2C)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CCo2C)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	111.9758	6.150	4	111.9758	37.828	4	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CFeCC)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CFeCC)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	109.9595	0.436	2	109.9595	0.190	2	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CFeRuC)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CFeRuC)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	107.0720	0.554	8	107.0720	0.307	8	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)3(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CH3)3(OH)	C(CCCO)(H)3	O(CC3)(H)	107.8048	1.775	66	107.8048	3.151	66	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CHHN)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CHHN)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	107.9121	2.155	36	107.9121	4.645	36	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CN[5]HH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	107.8301	2.473	12	107.8301	6.117	12	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CN[5a]HH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	109.1312	1.969	4	109.1312	3.878	4	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	C(CN[6]HH)(CH3)2(OH)	C(CCCO)(H)3	O(CC3)(H)	107.9460	0.126	2	107.9460	0.016	2	107.9464	4.428	334	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)(PO3)(OH)	C(CCOP)(H)3	O(CCCP)(H)	C(CCHH)(CH3)(PO3)(OH)	C(CCOP)(H)3	O(CCCP)(H)	111.9690	0.000	1	111.9690	0.000	1	109.3320	3.881	24	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCHN)(CH3)(PO3)(OH)	C(CCOP)(H)3	O(CCCP)(H)	C(CCHN)(CH3)(PO3)(OH)	C(CCOP)(H)3	O(CCCP)(H)	111.7400	0.000	1	111.7400	0.000	1	109.3320	3.881	24	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)2(PO3)(OH)	C(CCOP)(H)3	O(CCCP)(H)	C(CH3)2(PO3)(OH)	C(CCOP)(H)3	O(CCCP)(H)	109.1027	1.894	22	109.1027	3.588	22	109.3320	3.881	24	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:P-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)(PO3)2(OH)	C(COPP)(H)3	O(CCPP)(H)	C(CH3)(PO3)2(OH)	C(COPP)(H)3	O(CCPP)(H)	107.9415	1.958	17	107.9415	3.835	17	107.9415	3.835	17	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[3]-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[3]C[6a]C[3]O[3])(CF3)2(OH)	C(CC[3]CO)(F)3	O(CC[3]CC)(H)	C(C[3]C[6a]C[3]O[3])(CF3)2(OH)	C(CC[3]CO)(F)3	O(CC[3]CC)(H)	105.5930	2.301	2	105.5930	5.294	2	105.5930	5.294	2	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[3]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[3]C[3,6]C[3]H)(CH3)2(OH)	C(CC[3]CO)(H)3	O(CC[3]CC)(H)	C(C[3]C[3,6]C[3]H)(CH3)2(OH)	C(CC[3]CO)(H)3	O(CC[3]CC)(H)	107.7310	3.338	2	107.7310	11.139	2	107.5012	4.274	10	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[3]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[3]C[3]2H)(CH3)2(OH)	C(CC[3]CO)(H)3	O(CC[3]CC)(H)	C(C[3]C[3]2H)(CH3)2(OH)	C(CC[3]CO)(H)3	O(CC[3]CC)(H)	107.5298	2.131	6	107.5298	4.543	6	107.5012	4.274	10	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[3]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[3]C[3]N[3]H)(CH3)2(OH)	C(CC[3]CO)(H)3	O(CC[3]CC)(H)	C(C[3]C[3]N[3]H)(CH3)2(OH)	C(CC[3]CO)(H)3	O(CC[3]CC)(H)	107.1855	2.075	2	107.1855	4.307	2	107.5012	4.274	10	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[3]-4:C[6]-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[3]C[3]2H)(C[6]C[6]2H)(CH3)(OH)	C(CC[3]C[6]O)(H)3	O(CC[3]C[6]C)(H)	C(C[3]C[3]2H)(C[6]C[6]2H)(CH3)(OH)	C(CC[3]C[6]O)(H)3	O(CC[3]C[6]C)(H)	105.2907	0.116	3	105.2907	0.014	3	105.2907	0.014	3	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[4]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[4]C[4,5]C[4]H)(CH3)2(OH)	C(CC[4]CO)(H)3	O(CC[4]CC)(H)	C(C[4]C[4,5]C[4]H)(CH3)2(OH)	C(CC[4]CO)(H)3	O(CC[4]CC)(H)	107.3725	2.917	2	107.3725	8.508	2	107.0763	5.571	10	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[4]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[4]C[4,6]C[4]H)(CH3)2(OH)	C(CC[4]CO)(H)3	O(CC[4]CC)(H)	C(C[4]C[4,6]C[4]H)(CH3)2(OH)	C(CC[4]CO)(H)3	O(CC[4]CC)(H)	107.4390	3.695	2	107.4390	13.656	2	107.0763	5.571	10	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[4]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[4]C[4,6]N[4]H)(CH3)2(OH)	C(CC[4]CO)(H)3	O(CC[4]CC)(H)	C(C[4]C[4,6]N[4]H)(CH3)2(OH)	C(CC[4]CO)(H)3	O(CC[4]CC)(H)	105.8570	2.951	2	105.8570	8.711	2	107.0763	5.571	10	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[4]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[4]C[6a]C[4]N[4])(CH3)2(OH)	C(CC[4]CO)(H)3	O(CC[4]CC)(H)	C(C[4]C[6a]C[4]N[4])(CH3)2(OH)	C(CC[4]CO)(H)3	O(CC[4]CC)(H)	107.3565	2.276	4	107.3565	5.180	4	107.0763	5.571	10	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[4]-4:C[5]-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[4]C[4]2H)(C[5]C[5]2O)(CH3)(OH)	C(CC[4]C[5]O)(H)3	O(CC[4]C[5]C)(H)	C(C[4]C[4]2H)(C[5]C[5]2O)(CH3)(OH)	C(CC[4]C[5]O)(H)3	O(CC[4]C[5]C)(H)	108.9690	0.000	1	108.9690	0.000	1	108.9690	0.000	1	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,5,6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	C(CC[5,5,6]CO)(H)3	O(CC[5,5,6]CC)(H)	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	C(CC[5,5,6]CO)(H)3	O(CC[5,5,6]CC)(H)	109.4770	0.000	1	109.4770	0.000	1	108.3865	0.405	6	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,5,6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	C(CC[5,5,6]CO)(H)3	O(CC[5,5,6]CC)(H)	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	C(CC[5,5,6]CO)(H)3	O(CC[5,5,6]CC)(H)	108.1684	0.386	5	108.1684	0.149	5	108.3865	0.405	6	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	C(CC[5,5]CO)(H)3	O(CC[5,5]CC)(H)	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	C(CC[5,5]CO)(H)3	O(CC[5,5]CC)(H)	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	C(CC[5,6]CO)(H)3	O(CC[5,6]CC)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	C(CC[5,6]CO)(H)3	O(CC[5,6]CC)(H)	109.7645	0.876	2	109.7645	0.768	2	110.2113	0.522	4	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5,6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5,6]C[5,6]2O[5])(CH3)2(OH)	C(CC[5,6]CO)(H)3	O(CC[5,6]CC)(H)	C(C[5,6]C[5,6]2O[5])(CH3)2(OH)	C(CC[5,6]CO)(H)3	O(CC[5,6]CC)(H)	110.6580	0.030	2	110.6580	0.001	2	110.2113	0.522	4	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:Cl-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	C(CC[5]CO)(Cl)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	C(CC[5]CO)(Cl)(H)2	O(CC[5]CC)(H)	103.6475	0.357	2	103.6475	0.128	2	103.6475	0.128	2	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[5]C[5]2Fe)(CF3)2(OH)	C(CC[5]CO)(F)3	O(CC[5]CC)(H)	C(C[5]C[5]2Fe)(CF3)2(OH)	C(CC[5]CO)(F)3	O(CC[5]CC)(H)	105.6412	1.319	8	105.6412	1.741	8	106.7848	4.955	21	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CF3)2(OH)	C(CC[5]CO)(F)3	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CF3)2(OH)	C(CC[5]CO)(F)3	O(CC[5]CC)(H)	107.4885	2.415	13	107.4885	5.835	13	106.7848	4.955	21	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	106.4070	0.000	1	106.4070	0.000	1	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	104.1250	0.000	1	104.1250	0.000	1	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5]C[5]H)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5,5]C[5]H)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	108.0325	2.887	2	108.0325	8.335	2	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5]O[5]H)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5,5]O[5]H)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	107.6105	2.502	2	107.6105	6.262	2	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	104.2520	1.543	2	104.2520	2.381	2	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	106.7143	2.445	6	106.7143	5.980	6	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	107.4122	1.859	6	107.4122	3.455	6	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	110.4840	0.000	1	110.4840	0.000	1	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2C)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]2C)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	108.1990	0.789	2	108.1990	0.623	2	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2Fe)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]2Fe)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	107.6039	2.441	8	107.6039	5.958	8	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	106.3270	2.025	5	106.3270	4.101	5	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	107.7675	1.949	24	107.7675	3.799	24	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	109.4927	1.426	6	109.4927	2.035	6	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2Ru)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]2Ru)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	107.8000	2.728	4	107.8000	7.441	4	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	108.5670	1.628	2	108.5670	2.650	2	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	112.5655	0.146	2	112.5655	0.021	2	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	109.1090	0.000	1	109.1090	0.000	1	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	107.0750	1.776	2	107.0750	3.155	2	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	105.5600	0.000	1	105.5600	0.000	1	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	108.3709	2.072	90	108.3709	4.293	90	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	110.0187	2.153	3	110.0187	4.634	3	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]O)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	C(C[5]C[5]O[5]O)(CH3)2(OH)	C(CC[5]CO)(H)3	O(CC[5]CC)(H)	107.6679	2.130	8	107.6679	4.537	8	108.0719	4.729	179	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C[6]-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	C(CC[5]C[6]O)(H)3	O(CC[5]C[6]C)(H)	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	C(CC[5]C[6]O)(H)3	O(CC[5]C[6]C)(H)	108.2800	0.531	7	108.2800	0.282	7	108.3038	1.534	11	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C[6]-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	C(CC[5]C[6]O)(H)3	O(CC[5]C[6]C)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	C(CC[5]C[6]O)(H)3	O(CC[5]C[6]C)(H)	107.4170	3.190	2	107.4170	10.179	2	108.3038	1.534	11	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C[6]-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	C(CC[5]C[6]O)(H)3	O(CC[5]C[6]C)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	C(CC[5]C[6]O)(H)3	O(CC[5]C[6]C)(H)	109.3140	0.000	1	109.3140	0.000	1	108.3038	1.534	11	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C[6]-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2Fe)(C[6]C[6]2H)(CH3)(OH)	C(CC[5]C[6]O)(H)3	O(CC[5]C[6]C)(H)	C(C[5]C[5]2Fe)(C[6]C[6]2H)(CH3)(OH)	C(CC[5]C[6]O)(H)3	O(CC[5]C[6]C)(H)	109.2340	0.000	1	109.2340	0.000	1	108.3038	1.534	11	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(OH)	C(CC[6,6]CO)(H)3	O(CC[6,6]CC)(H)	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(OH)	C(CC[6,6]CO)(H)3	O(CC[6,6]CC)(H)	108.2845	0.582	2	108.2845	0.339	2	108.2845	0.339	2	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[5]-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6,6]C[5,6,6]2H)(C[5]C[3,5]C[5]H)(CH3)(OH)	C(CC[6,6]C[5]O)(H)3	O(CC[6,6]C[5]C)(H)	C(C[6,6]C[5,6,6]2H)(C[5]C[3,5]C[5]H)(CH3)(OH)	C(CC[6,6]C[5]O)(H)3	O(CC[6,6]C[5]C)(H)	107.4700	0.000	1	107.4700	0.000	1	107.4700	0.000	1	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]H)(CH3)2(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	106.6165	1.913	2	106.6165	3.659	2	107.6424	3.777	87	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6,6]C[6]O)(CH3)2(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	C(C[6]C[6,6]C[6]O)(CH3)2(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	109.0185	1.102	2	109.0185	1.215	2	107.6424	3.777	87	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2C)(CH3)2(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	C(C[6]C[6]2C)(CH3)2(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	106.5255	2.681	2	106.5255	7.186	2	107.6424	3.777	87	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CH3)2(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	106.7847	1.842	28	106.7847	3.392	28	107.6424	3.777	87	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	108.2340	3.230	2	108.2340	10.433	2	107.6424	3.777	87	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2O)(CH3)2(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	C(C[6]C[6]2O)(CH3)2(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	106.2780	0.964	2	106.2780	0.930	2	107.6424	3.777	87	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	109.7015	1.933	2	109.7015	3.735	2	107.6424	3.777	87	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	109.0010	0.000	1	109.0010	0.000	1	107.6424	3.777	87	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CH3)2(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	C(CC[6]CO)(H)3	O(CC[6]CC)(H)	108.1124	1.839	46	108.1124	3.381	46	107.6424	3.777	87	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[5]-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C(CC[5]C[6]O)(H)3	O(CC[5]C[6]C)(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C(CC[5]C[6]O)(H)3	O(CC[5]C[6]C)(H)	106.3978	2.717	10	106.3978	7.380	10	106.3978	7.380	10	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	C(CC[6]2O)(H)3	O(CC[6]2C)(H)	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	C(CC[6]2O)(H)3	O(CC[6]2C)(H)	109.1000	0.000	1	109.1000	0.000	1	109.1000	0.000	1	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	P-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(PC[6a]2O)(CH3)2(OH)	C(CCOP)(H)3	O(CCCP)(H)	C(PC[6a]2O)(CH3)2(OH)	C(CCOP)(H)3	O(CCCP)(H)	110.8860	0.038	2	110.8860	0.001	2	108.5902	7.088	4	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	P-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(PC[6a]OO)(CCHH)(CH3)(OH)	C(CCOP)(H)3	O(CCCP)(H)	C(PC[6a]OO)(CCHH)(CH3)(OH)	C(CCOP)(H)3	O(CCCP)(H)	106.2945	0.424	2	106.2945	0.179	2	108.5902	7.088	4	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	P-4:P-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(PCOO)2(CH3)(OH)	C(COPP)(H)3	O(CCPP)(H)	C(PCOO)2(CH3)(OH)	C(COPP)(H)3	O(CCPP)(H)	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:1:	P[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(P[6]O[6]2O)(CH3)2(OH)	C(CP[6]CO)(H)3	O(CP[6]CC)(H)	C(P[6]O[6]2O)(CH3)2(OH)	C(CP[6]CO)(H)3	O(CP[6]CC)(H)	109.7676	2.388	8	109.7676	5.704	8	109.7676	5.704	8	107.9155	4.562	792	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:Ge-2:	C(CHHP)(CF3)2(OGe)	C(CCCO)(F)3	O(CC3)(GeO)	C(CHHP)(CF3)2(OGe)	C(CCCO)(F)3	O(CC3)(GeO)	107.5968	1.727	8	107.5968	2.984	8	107.5968	2.984	8	107.3561	15.204	51	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:Ge-2:	C(CH3)3(OGe)	C(CCCO)(H)3	O(CC3)(GeN)	C(CH3)3(OGe)	C(CCCO)(H)3	O(CC3)(GeN)	108.6120	1.991	3	108.6120	3.965	3	108.6120	3.965	3	107.3561	15.204	51	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(CC[6]HH)(CH3)2(OO)	C(CCCO)(H)3	O(CC3)(OC)	C(CC[6]HH)(CH3)2(OO)	C(CCCO)(H)3	O(CC3)(OC)	110.2980	0.000	1	110.2980	0.000	1	107.3858	18.065	31	107.3561	15.204	51	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(CH3)3(OO)	C(CCCO)(H)3	O(CC3)(OC)	C(CH3)3(OO)	C(CCCO)(H)3	O(CC3)(OC)	107.1721	4.436	18	107.1721	19.677	18	107.3858	18.065	31	107.3561	15.204	51	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(CH3)3(OO)	C(CCCO)(H)3	O(CC3)(OCo)	C(CH3)3(OO)	C(CCCO)(H)3	O(CC3)(OCo)	107.7983	3.992	6	107.7983	15.938	6	107.3858	18.065	31	107.3561	15.204	51	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(CH3)3(OO)	C(CCCO)(H)3	O(CC3)(OMn)	C(CH3)3(OO)	C(CCCO)(H)3	O(CC3)(OMn)	106.5355	5.927	3	106.5355	35.134	3	107.3858	18.065	31	107.3561	15.204	51	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(CH3)3(OO)	C(CCCO)(H)3	O(CC3)(OPd)	C(CH3)3(OO)	C(CCCO)(H)3	O(CC3)(OPd)	107.7223	4.726	3	107.7223	22.335	3	107.3858	18.065	31	107.3561	15.204	51	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:S-2:	C(CH3)3(OS)	C(CCCO)(H)3	O(CC3)(SN)	C(CH3)3(OS)	C(CCCO)(H)3	O(CC3)(SN)	106.8250	4.946	3	106.8250	24.463	3	106.8250	24.463	3	107.3561	15.204	51	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:2:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(C[5]C[5]N[5]H)(CH3)2(OO)	C(CC[5]CO)(H)3	O(CC[5]CC)(ONi)	C(C[5]C[5]N[5]H)(CH3)2(OO)	C(CC[5]CO)(H)3	O(CC[5]CC)(ONi)	107.5750	7.241	2	107.5750	52.429	2	107.5750	52.429	2	107.3561	15.204	51	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:2:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(C[6]C[5,6]C[6]H)(CH3)2(OO)	C(CC[6]CO)(H)3	O(CC[6]CC)(OC[5])	C(C[6]C[5,6]C[6]H)(CH3)2(OO)	C(CC[6]CO)(H)3	O(CC[6]CC)(OC[5])	105.1435	5.625	2	105.1435	31.641	2	105.9917	24.815	4	107.3561	15.204	51	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:2:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(C[6]C[6]O[6]H)(CH3)2(OO)	C(CC[6]CO)(H)3	O(CC[6]CC)(OH)	C(C[6]C[6]O[6]H)(CH3)2(OO)	C(CC[6]CO)(H)3	O(CC[6]CC)(OH)	106.8400	6.319	2	106.8400	39.926	2	105.9917	24.815	4	107.3561	15.204	51	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:Br-1:H-1:H-1:	C-4:C-4:	C(CBrHH)(CCHH)2(OC)	C(CCCO)(Br)(H)2	O(CCCH)(CC3)	C(CBrHH)(CCHH)2(OC)	C(CCCO)(Br)(H)2	O(CCCH)(CC3)	111.5690	0.000	1	111.5690	0.000	1	111.5690	0.000	1	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(CCHH)(CF3)2(OC)	C(CCCO)(F)3	O(CCHO)(CC3)	C(CCHH)(CF3)2(OC)	C(CCCO)(F)3	O(CCHO)(CC3)	105.8335	3.283	4	105.8335	10.778	4	108.5616	20.965	21	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(CF3)3(OC)	C(CCCO)(F)3	O(CCHH)(CC3)	C(CF3)3(OC)	C(CCCO)(F)3	O(CCHH)(CC3)	109.4915	4.863	6	109.4915	23.648	6	108.5616	20.965	21	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:C-4:	C(CF3)3(OC)	C(CCCO)(F)3	O(CC[6a]HH)(CC3)	C(CF3)3(OC)	C(CCCO)(F)3	O(CC[6a]HH)(CC3)	109.0464	4.808	11	109.0464	23.118	11	108.5616	20.965	21	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	B-4:C-4:	C(CHHP)(CH3)2(OB)	C(CCCO)(H)3	O(BC[6a]2H)(CC3)	C(CHHP)(CH3)2(OB)	C(CCCO)(H)3	O(BC[6a]2H)(CC3)	111.5058	1.074	8	111.5058	1.153	8	111.5058	1.153	8	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CBrCH)(CH3)2(OC)	C(CCCO)(H)3	O(CC3)(CH3)	C(CBrCH)(CH3)2(OC)	C(CCCO)(H)3	O(CC3)(CH3)	107.1287	4.840	4	107.1287	23.426	4	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CBrCH)(CH3)2(OC)	C(CCCO)(H)3	O(CCCH)(CC3)	C(CBrCH)(CH3)2(OC)	C(CCCO)(H)3	O(CCCH)(CC3)	106.9155	3.905	2	106.9155	15.252	2	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCCH)(CH3)2(OC)	C(CCCO)(H)3	O(CCCH)(CC3)	C(CCCH)(CH3)2(OC)	C(CCCO)(H)3	O(CCCH)(CC3)	105.9115	4.784	2	105.9115	22.883	2	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCCH)(CH3)2(OC)	C(CCCO)(H)3	O(CCHH)(CC3)	C(CCCH)(CH3)2(OC)	C(CCCO)(H)3	O(CCHH)(CC3)	109.4890	1.650	2	109.4890	2.724	2	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCCH)2(CH3)(OC)	C(CCCO)(H)3	O(CC3)(CH3)	C(CCCH)2(CH3)(OC)	C(CCCO)(H)3	O(CC3)(CH3)	102.4810	0.000	1	102.4810	0.000	1	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(H)3	O(CC3)(CH3)	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(H)3	O(CC3)(CH3)	113.0380	0.144	2	113.0380	0.021	2	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(H)3	O(CCHH)(CC3)	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(H)3	O(CCHH)(CC3)	102.9240	0.000	1	102.9240	0.000	1	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHH)(CHHS)(CH3)(OC)	C(CCCO)(H)3	O(CC3)(CH3)	C(CCHH)(CHHS)(CH3)(OC)	C(CCCO)(H)3	O(CC3)(CH3)	107.7790	0.000	1	107.7790	0.000	1	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCHO)(CH3)2(OC)	C(CCCO)(H)3	O(CCCH)(CC3)	C(CCHO)(CH3)2(OC)	C(CCCO)(H)3	O(CCCH)(CC3)	107.4013	4.500	4	107.4013	20.247	4	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CC[3]HH)(CCHO)(CH3)(OC)	C(CCCO)(H)3	O(CCHH)(CC3)	C(CC[3]HH)(CCHO)(CH3)(OC)	C(CCCO)(H)3	O(CCHH)(CC3)	102.7890	0.008	2	102.7890	0.000	2	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CC[3]HO)(CH3)2(OC)	C(CCCO)(H)3	O(CC3)(CH3)	C(CC[3]HO)(CH3)2(OC)	C(CCCO)(H)3	O(CC3)(CH3)	110.5705	0.933	2	110.5705	0.870	2	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(CCHO)(CH3)(OC)	C(CCCO)(H)3	O(CCCH)(CC3)	C(CC[5]HH)(CCHO)(CH3)(OC)	C(CCCO)(H)3	O(CCCH)(CC3)	103.4600	0.000	1	103.4600	0.000	1	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(CH3)2(OC)	C(CCCO)(H)3	O(CCHH)(CC3)	C(CC[5]HH)(CH3)2(OC)	C(CCCO)(H)3	O(CCHH)(CC3)	107.0495	3.695	2	107.0495	13.650	2	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CC[6]HO)(CH3)2(OC)	C(CCCO)(H)3	O(CC3)(CH3)	C(CC[6]HO)(CH3)2(OC)	C(CCCO)(H)3	O(CC3)(CH3)	111.1955	2.746	2	111.1955	7.539	2	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CC[6a]CH)(CH3)2(OC)	C(CCCO)(H)3	O(CC3)(CH3)	C(CC[6a]CH)(CH3)2(OC)	C(CCCO)(H)3	O(CC3)(CH3)	110.0154	0.299	5	110.0154	0.089	5	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCo2C)(CH3)2(OC)	C(CCCO)(H)3	O(CCHH)(CC3)	C(CCo2C)(CH3)2(OC)	C(CCCO)(H)3	O(CCHH)(CC3)	110.9715	0.790	2	110.9715	0.624	2	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CCuOO)(CH3)2(OC)	C(CCCO)(H)3	O(CCHH)(CC3)	C(CCuOO)(CH3)2(OC)	C(CCCO)(H)3	O(CCHH)(CC3)	107.6950	6.350	2	107.6950	40.320	2	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(CH3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC3)(CH3)	106.7120	6.405	29	106.7120	41.022	29	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CCHH)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CCHH)(CC3)	108.0754	3.639	9	108.0754	13.240	9	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[5,6]HH)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[5,6]HH)(CC3)	108.1377	4.597	3	108.1377	21.131	3	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[5]HH)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[5]HH)(CC3)	108.2290	3.401	21	108.2290	11.568	21	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[6a]HH)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CC[6a]HH)(CC3)	108.2856	3.225	21	108.2856	10.399	21	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CDyCO)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CDyCO)(CC3)	107.8870	4.155	15	107.8870	17.268	15	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CHNS)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CHNS)(CC3)	108.5280	4.659	3	108.5280	21.707	3	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CIrHH)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CIrHH)(CC3)	108.5793	4.356	3	108.5793	18.978	3	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CIrHN)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CIrHN)(CC3)	108.2223	6.890	3	108.2223	47.470	3	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)3(OC)	C(CCCO)(H)3	O(CRhHH)(CC3)	C(CH3)3(OC)	C(CCCO)(H)3	O(CRhHH)(CC3)	108.3193	4.472	3	108.3193	19.999	3	107.8496	18.871	147	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)3(OP)	C(CCCO)(H)3	O(CC3)(PO3)	C(CH3)3(OP)	C(CCCO)(H)3	O(CC3)(PO3)	107.9879	3.321	95	107.9879	11.027	95	107.9879	11.027	95	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Ge-4:C-4:	C(CH3)3(OGe)	C(CCCO)(H)3	O(GeC[5]CO)(CC3)	C(CH3)3(OGe)	C(CCCO)(H)3	O(GeC[5]CO)(CC3)	108.1943	3.154	6	108.1943	9.947	6	108.2583	4.312	21	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Ge-4:C-4:	C(CH3)3(OGe)	C(CCCO)(H)3	O(GeC[6a]2C)(CC3)	C(CH3)3(OGe)	C(CCCO)(H)3	O(GeC[6a]2C)(CC3)	108.6440	3.761	3	108.6440	14.148	3	108.2583	4.312	21	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Ge-4:C-4:	C(CHHN)(CH3)2(OGe)	C(CCCO)(H)3	O(GeClOO)(CC3)	C(CHHN)(CH3)2(OGe)	C(CCCO)(H)3	O(GeClOO)(CC3)	108.0832	0.848	8	108.0832	0.719	8	108.2583	4.312	21	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Ge-4:C-4:	C(CHHN)(CH3)2(OGe)	C(CCCO)(H)3	O(GeHOO)(CC3)	C(CHHN)(CH3)2(OGe)	C(CCCO)(H)3	O(GeHOO)(CC3)	108.4150	0.886	4	108.4150	0.784	4	108.2583	4.312	21	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	N-4:C-4:	C(CH3)3(ON)	C(CCCO)(H)3	O(NOsHH)(CC3)	C(CH3)3(ON)	C(CCCO)(H)3	O(NOsHH)(CC3)	108.7061	8.669	3	108.7061	75.145	3	108.7061	75.145	3	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CC[6]HH)(CH3)2(OP)	C(CCCO)(H)3	O(PC[6a]2Ni)(CC3)	C(CC[6]HH)(CH3)2(OP)	C(CCCO)(H)3	O(PC[6a]2Ni)(CC3)	104.8595	0.812	2	104.8595	0.660	2	107.7448	12.952	17	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)3(OP)	C(CCCO)(H)3	O(PCCW)(CC3)	C(CH3)3(OP)	C(CCCO)(H)3	O(PCCW)(CC3)	108.6627	3.018	6	108.6627	9.109	6	107.7448	12.952	17	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)3(OP)	C(CCCO)(H)3	O(PMoOO)(CC3)	C(CH3)3(OP)	C(CCCO)(H)3	O(PMoOO)(CC3)	107.7740	4.173	9	107.7740	17.414	9	107.7448	12.952	17	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CCHH)(CH3)2(OSi)	C(CCCO)(H)3	O(SiC3)(CC3)	C(CCHH)(CH3)2(OSi)	C(CCCO)(H)3	O(SiC3)(CC3)	110.0485	0.499	4	110.0485	0.249	4	108.3508	5.516	551	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CCHO)2(CH3)(OSi)	C(CCCO)(H)3	O(SiC[6a]2C)(CC3)	C(CCHO)2(CH3)(OSi)	C(CCCO)(H)3	O(SiC[6a]2C)(CC3)	111.1980	0.000	1	111.1980	0.000	1	108.3508	5.516	551	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiCOO)(CC3)	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiCOO)(CC3)	108.1883	2.155	23	108.1883	4.646	23	108.3508	5.516	551	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiC[6a]3)(CC3)	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiC[6a]3)(CC3)	108.2203	2.944	3	108.2203	8.666	3	108.3508	5.516	551	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiNOO)(CC3)	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiNOO)(CC3)	108.4553	2.099	26	108.4553	4.408	26	108.3508	5.516	551	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiO3)(CC3)	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiO3)(CC3)	108.3125	2.354	336	108.3125	5.540	336	108.3508	5.516	551	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiOOS)(CC3)	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiOOS)(CC3)	108.3802	2.428	158	108.3802	5.897	158	108.3508	5.516	551	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C[4]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:Si-4:	C(C[4]C[4]2Co)(CH3)2(OSi)	C(CC[4]CO)(H)3	O(CC[4]CC)(SiCCO)	C(C[4]C[4]2Co)(CH3)2(OSi)	C(CC[4]CO)(H)3	O(CC[4]CC)(SiCCO)	106.3798	2.688	8	106.3798	7.225	8	106.4060	6.203	16	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C[4]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:Si-4:	C(C[4]C[4]2H)(CH3)2(OSi)	C(CC[4]CO)(H)3	O(CC[4]CC)(SiCCO)	C(C[4]C[4]2H)(CH3)2(OSi)	C(CC[4]CO)(H)3	O(CC[4]CC)(SiCCO)	106.4322	2.463	8	106.4322	6.066	8	106.4060	6.203	16	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(CH3)2(OC)	C(CC[5]CO)(H)3	O(CC[6a]HH)(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(OC)	C(CC[5]CO)(H)3	O(CC[6a]HH)(CC[5]CC)	111.5665	0.234	2	111.5665	0.055	2	111.5665	0.055	2	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6]C[5,6,6]C[6]H)(CH3)2(OC)	C(CC[6]CO)(H)3	O(CC[6]CC)(CH3)	C(C[6]C[5,6,6]C[6]H)(CH3)2(OC)	C(CC[6]CO)(H)3	O(CC[6]CC)(CH3)	107.2757	2.844	6	107.2757	8.091	6	107.1358	6.802	8	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6]C[6,6]C[6]H)(CH3)2(OC)	C(CC[6]CO)(H)3	O(CC[6]CC)(CH3)	C(C[6]C[6,6]C[6]H)(CH3)2(OC)	C(CC[6]CO)(H)3	O(CC[6]CC)(CH3)	106.7160	2.587	2	106.7160	6.690	2	107.1358	6.802	8	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	4:4:	P-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(PC[6a]2Fe)(CH3)2(OSi)	C(CCOP)(H)3	O(SiFeCC)(CCCP)	C(PC[6a]2Fe)(CH3)2(OSi)	C(CCOP)(H)3	O(SiFeCC)(CCCP)	109.0605	1.025	2	109.0605	1.050	2	109.0605	1.050	2	108.2169	9.050	892	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	5:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-5:C-4:	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiLiOOS)(CC3)	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiLiOOS)(CC3)	108.1075	2.168	12	108.1075	4.701	12	108.1680	5.232	199	108.1680	5.232	199	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	5:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-5:C-4:	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiLuO3)(CC3)	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiLuO3)(CC3)	107.9630	2.428	21	107.9630	5.894	21	108.1680	5.232	199	108.1680	5.232	199	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	5:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-5:C-4:	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiMoO3)(CC3)	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiMoO3)(CC3)	107.8502	2.349	6	107.8502	5.519	6	108.1680	5.232	199	108.1680	5.232	199	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	5:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-5:C-4:	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiNdO3)(CC3)	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiNdO3)(CC3)	107.8905	2.455	6	107.8905	6.028	6	108.1680	5.232	199	108.1680	5.232	199	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	5:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-5:C-4:	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiO3U)(CC3)	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiO3U)(CC3)	108.4735	2.306	71	108.4735	5.317	71	108.1680	5.232	199	108.1680	5.232	199	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	5:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-5:C-4:	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiTiO3)(CC3)	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiTiO3)(CC3)	108.0351	2.390	27	108.0351	5.714	27	108.1680	5.232	199	108.1680	5.232	199	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	5:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Si-5:C-4:	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiYbO3)(CC3)	C(CH3)3(OSi)	C(CCCO)(H)3	O(SiYbO3)(CC3)	107.9985	2.245	56	107.9985	5.038	56	108.1680	5.232	199	108.1680	5.232	199	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:1:1:1:	6:4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	Nb-6:C-4:	C(CH3)3(ONb)	C(CCCO)(H)3	O(NbN[6]ClO3)(CC3)	C(CH3)3(ONb)	C(CCCO)(H)3	O(NbN[6]ClO3)(CC3)	108.0129	0.937	11	108.0129	0.878	11	108.0129	0.878	11	108.0129	0.878	11	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:2:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-2:H-1:H-1:	C-4:H-1:	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(CC)(H)2	O(CC3)(H)	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(CC)(H)2	O(CC3)(H)	109.0110	0.467	2	109.0110	0.218	2	109.0110	0.218	2	108.3893	5.797	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:2:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHO)(CH3)(OH)	C(CCCO)(OC)(H)2	O(CC3)(H)	C(CCHH)(CHHO)(CH3)(OH)	C(CCCO)(OC)(H)2	O(CC3)(H)	109.3605	1.398	2	109.3605	1.954	2	108.9166	8.984	8	108.3893	5.797	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:2:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHO)(CH3)(OH)	C(CCCO)(OH)(H)2	O(CC3)(H)	C(CCHH)(CHHO)(CH3)(OH)	C(CCCO)(OH)(H)2	O(CC3)(H)	108.3445	2.695	2	108.3445	7.262	2	108.9166	8.984	8	108.3893	5.797	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:2:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CCHH)2(CHHO)(OH)	C(CCCO)(OH)(H)2	O(CC3)(H)	C(CCHH)2(CHHO)(OH)	C(CCCO)(OH)(H)2	O(CC3)(H)	108.4070	0.000	1	108.4070	0.000	1	108.9166	8.984	8	108.3893	5.797	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:2:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CCHO)(CHHO)(CF3)(OH)	C(CCCO)(OC)(H)2	O(CC3)(H)	C(CCHO)(CHHO)(CF3)(OH)	C(CCCO)(OC)(H)2	O(CC3)(H)	113.4240	0.000	1	113.4240	0.000	1	108.9166	8.984	8	108.3893	5.797	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:2:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CHHN)(CHHO)2(OH)	C(CCCO)(OH)(H)2	O(CC3)(H)	C(CHHN)(CHHO)2(OH)	C(CCCO)(OH)(H)2	O(CC3)(H)	107.0460	5.005	2	107.0460	25.049	2	108.9166	8.984	8	108.3893	5.797	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,6]-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	C(CC[5,6]CO)(OH)(H)2	O(CC[5,6]CC)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	C(CC[5,6]CO)(OH)(H)2	O(CC[5,6]CC)(H)	109.4260	2.858	2	109.4260	8.169	2	109.4260	8.169	2	108.3893	5.797	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	C(CC[5]CO)(OH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	C(CC[5]CO)(OH)(H)2	O(CC[5]CC)(H)	110.3530	0.000	1	110.3530	0.000	1	107.3145	4.568	6	108.3893	5.797	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	C(CC[5]CO)(OC)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	C(CC[5]CO)(OC)(H)2	O(CC[5]CC)(H)	107.8270	0.000	1	107.8270	0.000	1	107.3145	4.568	6	108.3893	5.797	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	C(CC[5]CO)(OC)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	C(CC[5]CO)(OC)(H)2	O(CC[5]CC)(H)	105.7940	0.000	1	105.7940	0.000	1	107.3145	4.568	6	108.3893	5.797	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	C(CC[5]CO)(OH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	C(CC[5]CO)(OH)(H)2	O(CC[5]CC)(H)	106.6377	2.198	3	106.6377	4.829	3	107.3145	4.568	6	108.3893	5.797	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	C(CC[6]CO)(OH)(H)2	O(CC[6]CC)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	C(CC[6]CO)(OH)(H)2	O(CC[6]CC)(H)	107.8465	1.835	2	107.8465	3.367	2	107.8465	3.367	2	108.3893	5.797	20	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCCH)2(CCHH)(OH)	C(CCCO)(CCH)(H)2	O(CC3)(H)	C(CCCH)2(CCHH)(OH)	C(CCCO)(CCH)(H)2	O(CC3)(H)	108.6655	2.321	2	108.6655	5.389	2	110.6290	7.871	21	109.8085	6.522	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CF3)2(OH)	C(CCCO)(CCH)(H)2	O(CC3)(H)	C(CCHH)(CF3)2(OH)	C(CCCO)(CCH)(H)2	O(CC3)(H)	113.5710	0.000	1	113.5710	0.000	1	110.6290	7.871	21	109.8085	6.522	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CF3)2(OH)	C(CCCO)(CCN)(H)2	O(CC3)(H)	C(CCHH)(CF3)2(OH)	C(CCCO)(CCN)(H)2	O(CC3)(H)	114.1615	0.852	4	114.1615	0.726	4	110.6290	7.871	21	109.8085	6.522	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CF3)2(OH)	C(CCCO)(CCO)(H)2	O(CC3)(H)	C(CCHH)(CF3)2(OH)	C(CCCO)(CCO)(H)2	O(CC3)(H)	108.7085	0.896	2	108.7085	0.803	2	110.6290	7.871	21	109.8085	6.522	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CF3)2(OH)	C(CCCO)(COO)(H)2	O(CC3)(H)	C(CCHH)(CF3)2(OH)	C(CCCO)(COO)(H)2	O(CC3)(H)	114.2685	0.264	2	114.2685	0.070	2	110.6290	7.871	21	109.8085	6.522	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)2(OH)	C(CCCO)(CCN)(H)2	O(CC3)(H)	C(CCHH)(CH3)2(OH)	C(CCCO)(CCN)(H)2	O(CC3)(H)	107.8070	2.082	3	107.8070	4.336	3	110.6290	7.871	21	109.8085	6.522	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)2(OH)	C(CCCO)(CCO)(H)2	O(CC3)(H)	C(CCHH)(CH3)2(OH)	C(CCCO)(CCO)(H)2	O(CC3)(H)	109.7233	1.281	4	109.7233	1.641	4	110.6290	7.871	21	109.8085	6.522	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)2(OH)	C(CCCO)(CNO)(H)2	O(CC3)(H)	C(CCHH)(CH3)2(OH)	C(CCCO)(CNO)(H)2	O(CC3)(H)	110.0640	0.000	1	110.0640	0.000	1	110.6290	7.871	21	109.8085	6.522	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CC[6]CH)(CCHH)2(OH)	C(CCCO)(CCH)(H)2	O(CC3)(H)	C(CC[6]CH)(CCHH)2(OH)	C(CCCO)(CCH)(H)2	O(CC3)(H)	108.6645	0.146	2	108.6645	0.021	2	110.6290	7.871	21	109.8085	6.522	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(CF3)2(OH)	C(CCCO)(NCC)(H)2	O(CC3)(H)	C(CHHN)(CF3)2(OH)	C(CCCO)(NCC)(H)2	O(CC3)(H)	110.9297	0.719	3	110.9297	0.517	3	109.2764	4.224	21	109.8085	6.522	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(CH3)2(OH)	C(CCCO)(NCC)(H)2	O(CC3)(H)	C(CHHN)(CH3)2(OH)	C(CCCO)(NCC)(H)2	O(CC3)(H)	109.0772	1.886	16	109.0772	3.556	16	109.2764	4.224	21	109.8085	6.522	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(CH3)2(OH)	C(CCCO)(NCH)(H)2	O(CC3)(H)	C(CHHN)(CH3)2(OH)	C(CCCO)(NCH)(H)2	O(CC3)(H)	105.2510	0.000	1	105.2510	0.000	1	109.2764	4.224	21	109.8085	6.522	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(CHHO)2(OH)	C(CCCO)(NCC)(H)2	O(CC3)(H)	C(CHHN)(CHHO)2(OH)	C(CCCO)(NCC)(H)2	O(CC3)(H)	111.5300	0.000	1	111.5300	0.000	1	109.2764	4.224	21	109.8085	6.522	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:1:	C-4:P-4:P-4:O-2:	C-4:S-3:H-1:H-1:	C-4:H-1:	C(CHHS)(PO3)2(OH)	C(COPP)(SCC)(H)2	O(CCPP)(H)	C(CHHS)(PO3)2(OH)	C(COPP)(SCC)(H)2	O(CCPP)(H)	107.0380	0.000	1	107.0380	0.000	1	107.0380	0.000	1	109.8085	6.522	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	C(CC[5]CO)(NOO)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	C(CC[5]CO)(NOO)(H)2	O(CC[5]CC)(H)	106.5210	0.000	1	106.5210	0.000	1	106.5210	0.000	1	109.8085	6.522	44	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:2:	C-4:C-4:C-4:O-2:	C-4:P-3:H-1:H-1:	C-4:Ge-2:	C(CHHP)(CF3)2(OGe)	C(CCCO)(PCC)(H)2	O(CC3)(GeO)	C(CHHP)(CF3)2(OGe)	C(CCCO)(PCC)(H)2	O(CC3)(GeO)	115.1737	0.268	4	115.1737	0.072	4	115.1737	0.072	4	115.1737	0.072	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:C-4:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCH)(H)2	O(CCHH)(CC3)	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCH)(H)2	O(CCHH)(CC3)	115.9550	0.000	1	115.9550	0.000	1	115.9550	0.000	1	107.8142	21.000	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:P-3:H-1:H-1:	B-4:C-4:	C(CHHP)(CH3)2(OB)	C(CCCO)(PCC)(H)2	O(BC[6a]2H)(CC3)	C(CHHP)(CH3)2(OB)	C(CCCO)(PCC)(H)2	O(BC[6a]2H)(CC3)	105.7790	0.621	4	105.7790	0.386	4	105.7790	0.386	4	107.8142	21.000	5	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-3:N-2:H-1:	C-4:H-1:	C(CCHN)(CH3)2(OH)	C(CCCO)(COO)(NC)(H)	O(CC3)(H)	C(CCHN)(CH3)2(OH)	C(CCCO)(COO)(NC)(H)	O(CC3)(H)	109.3900	0.000	1	109.3900	0.000	1	109.3900	0.000	1	108.3402	10.036	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCH)(OC)(H)	O(CC3)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCH)(OC)(H)	O(CC3)(H)	108.8240	0.000	1	108.8240	0.000	1	107.9903	14.319	3	108.3402	10.036	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(CH3)2(OH)	C(CCCO)(CCO)(OH)(H)	O(CC3)(H)	C(CCHO)(CH3)2(OH)	C(CCCO)(CCO)(OH)(H)	O(CC3)(H)	103.8590	0.000	1	103.8590	0.000	1	107.9903	14.319	3	108.3402	10.036	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-3:O-2:H-1:	C-4:H-1:	C(CCHO)(CHHO)(CF3)(OH)	C(CCCO)(COO)(OH)(H)	O(CC3)(H)	C(CCHO)(CHHO)(CF3)(OH)	C(CCCO)(COO)(OH)(H)	O(CC3)(H)	111.2880	0.000	1	111.2880	0.000	1	107.9903	14.319	3	108.3402	10.036	4	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:3:2:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-3:O-2:H-1:	Si-4:C-4:	C(CCHO)2(CH3)(OSi)	C(CCCO)(CCH)(OH)(H)	O(SiC[6a]2C)(CC3)	C(CCHO)2(CH3)(OSi)	C(CCCO)(CCH)(OH)(H)	O(SiC[6a]2C)(CC3)	106.2200	0.000	1	106.2200	0.000	1	106.2200	0.000	1	106.2200	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CBrHH)(CCHH)(CCHO)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CBrHH)(CCHH)(CCHO)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	106.9340	0.000	1	106.9340	0.000	1	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(CH3)(OH)	C(CCCH)(CCCO)(H)2	O(CC3)(H)	C(CCCH)(CCHH)(CH3)(OH)	C(CCCH)(CCCO)(H)2	O(CC3)(H)	107.3490	0.000	1	107.3490	0.000	1	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)(CH3)(OH)	C(CC[6]HH)(CCCO)(H)2	O(CC3)(H)	C(CCCH)(CCHH)(CH3)(OH)	C(CC[6]HH)(CCCO)(H)2	O(CC3)(H)	109.6360	0.000	1	109.6360	0.000	1	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)2(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CCCH)(CCHH)2(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	104.1140	0.000	1	104.1140	0.000	1	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)2(OH)	C(CC[5]HH)(CCCO)(H)2	O(CC3)(H)	C(CCCH)(CCHH)2(OH)	C(CC[5]HH)(CCCO)(H)2	O(CC3)(H)	106.9450	0.000	1	106.9450	0.000	1	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCH)(CCHH)2(OH)	C(CC[6a]HH)(CCCO)(H)2	O(CC3)(H)	C(CCCH)(CCHH)2(OH)	C(CC[6a]HH)(CCCO)(H)2	O(CC3)(H)	108.0920	0.000	1	108.0920	0.000	1	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCCO)(CCHH)2(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CCCO)(CCHH)2(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	107.1730	1.531	4	107.1730	2.343	4	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	106.5933	2.248	6	106.5933	5.053	6	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6]CH)(CCCO)(H)2	O(CC3)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6]CH)(CCCO)(H)2	O(CC3)(H)	107.4080	0.000	1	107.4080	0.000	1	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6]HH)(CCCO)(H)2	O(CC3)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6]HH)(CCCO)(H)2	O(CC3)(H)	105.8565	3.072	2	105.8565	9.440	2	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6a]HH)(CCCO)(H)2	O(CC3)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6a]HH)(CCCO)(H)2	O(CC3)(H)	109.2015	0.330	2	109.2015	0.109	2	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CF3)2(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CCHH)(CF3)2(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	109.6685	1.346	2	109.6685	1.811	2	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH3)2(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CCHH)(CH3)2(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	108.6731	1.053	8	108.6731	1.109	8	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHO)(CH3)(OH)	C(CC[3]HH)(CCCO)(H)2	O(CC3)(H)	C(CCHH)(CHHO)(CH3)(OH)	C(CC[3]HH)(CCCO)(H)2	O(CC3)(H)	106.1935	0.343	2	106.1935	0.118	2	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CHHO)(CH3)(OH)	C(CClCH)(CCCO)(H)2	O(CC3)(H)	C(CCHH)(CHHO)(CH3)(OH)	C(CClCH)(CCCO)(H)2	O(CC3)(H)	109.7840	1.442	2	109.7840	2.081	2	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(CH3)(OH)	C(CCCH)(CCCO)(H)2	O(CC3)(H)	C(CCHH)2(CH3)(OH)	C(CCCH)(CCCO)(H)2	O(CC3)(H)	110.8280	0.000	1	110.8280	0.000	1	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(CH3)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CCHH)2(CH3)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	109.3550	0.000	1	109.3550	0.000	1	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)2(CHHO)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CCHH)2(CHHO)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	106.6010	0.802	2	106.6010	0.643	2	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)3(OH)	C(CCCO)(CH3)(H)2	O(CC3)(H)	C(CCHH)3(OH)	C(CCCO)(CH3)(H)2	O(CC3)(H)	107.4446	1.897	12	107.4446	3.600	12	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(CC[3]HH)(CCCO)(H)2	O(CC3)(H)	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(CC[3]HH)(CCCO)(H)2	O(CC3)(H)	110.4610	0.000	1	110.4610	0.000	1	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	110.3325	1.261	2	110.3325	1.590	2	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CC[3]HH)(CCCO)(H)2	O(CC3)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CC[3]HH)(CCCO)(H)2	O(CC3)(H)	110.2510	0.000	1	110.2510	0.000	1	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CCHH)(CH3)(OH)	C(CC[3]HH)(CCCO)(H)2	O(CC3)(H)	C(CC[5]HH)(CCHH)(CH3)(OH)	C(CC[3]HH)(CCCO)(H)2	O(CC3)(H)	105.8420	0.000	1	105.8420	0.000	1	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HO)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CC[5]HO)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	104.3110	1.310	3	104.3110	1.717	3	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HO)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CC[6]HO)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	108.1505	2.129	2	108.1505	4.533	2	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	108.8320	0.000	1	108.8320	0.000	1	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CC[5]HH)(CCCO)(H)2	O(CC3)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CC[5]HH)(CCCO)(H)2	O(CC3)(H)	108.0700	0.000	1	108.0700	0.000	1	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CC[6]HH)(CCCO)(H)2	O(CC3)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CC[6]HH)(CCCO)(H)2	O(CC3)(H)	107.2005	1.282	2	107.2005	1.643	2	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(CCCO)(CCHH)(H)2	O(CC3)(H)	103.1910	0.857	2	103.1910	0.734	2	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CN[5]HH)(CCHH)(CC3)(OH)	C(CC[6a]HH)(CCCO)(H)2	O(CC3)(H)	C(CN[5]HH)(CCHH)(CC3)(OH)	C(CC[6a]HH)(CCCO)(H)2	O(CC3)(H)	106.1230	0.100	2	106.1230	0.010	2	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(CC[6a]HH)(CCCO)(H)2	O(CC3)(H)	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(CC[6a]HH)(CCCO)(H)2	O(CC3)(H)	106.5560	0.000	1	106.5560	0.000	1	107.5026	4.354	70	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)(CF3)2(OH)	C(CCCO)(NCCH)(H)2	O(CC3)(H)	C(CHHN)(CF3)2(OH)	C(CCCO)(NCCH)(H)2	O(CC3)(H)	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:P-4:H-1:H-1:	C-4:H-1:	C(CHHP)(CF3)2(OH)	C(CCCO)(PC3)(H)2	O(CC3)(H)	C(CHHP)(CF3)2(OH)	C(CCCO)(PC3)(H)2	O(CC3)(H)	109.9395	0.984	2	109.9395	0.967	2	113.3768	16.084	4	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:P-4:H-1:H-1:	C-4:H-1:	C(CHHP)(CF3)2(OH)	C(CCCO)(PCOW)(H)2	O(CC3)(H)	C(CHHP)(CF3)2(OH)	C(CCCO)(PCOW)(H)2	O(CC3)(H)	116.8140	0.158	2	116.8140	0.025	2	113.3768	16.084	4	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:Si-4:H-1:H-1:	C-4:H-1:	C(CFeCC)2(CSiHH)(OH)	C(CCCO)(SiC3)(H)2	O(CC3)(H)	C(CFeCC)2(CSiHH)(OH)	C(CCCO)(SiC3)(H)2	O(CC3)(H)	104.0150	0.000	1	104.0150	0.000	1	104.0150	0.000	1	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(C[5,5]C[5,5]C[5]O[5])(CCCO)(H)2	O(CC3)(H)	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(C[5,5]C[5,5]C[5]O[5])(CCCO)(H)2	O(CC3)(H)	109.6030	0.000	1	109.6030	0.000	1	109.6030	0.000	1	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5,6]HH)(CF3)2(OH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	O(CC3)(H)	C(CC[5,6]HH)(CF3)2(OH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	O(CC3)(H)	112.5557	3.515	4	112.5557	12.356	4	112.5557	12.356	4	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(C[5]C[5]2H)(CCCO)(H)2	O(CC3)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(C[5]C[5]2H)(CCCO)(H)2	O(CC3)(H)	108.5665	0.421	2	108.5665	0.177	2	106.3823	11.878	15	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(C[5]C[5]2O)(CCCO)(H)2	O(CC3)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(C[5]C[5]2O)(CCCO)(H)2	O(CC3)(H)	104.2560	0.000	1	104.2560	0.000	1	106.3823	11.878	15	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCCO)(H)2	O(CC3)(H)	C(CC[5]HH)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCCO)(H)2	O(CC3)(H)	109.8330	0.000	1	109.8330	0.000	1	106.3823	11.878	15	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CCHO)(CH3)(OH)	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	O(CC3)(H)	C(CC[5]HH)(CCHO)(CH3)(OH)	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	O(CC3)(H)	109.3090	0.000	1	109.3090	0.000	1	106.3823	11.878	15	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	C(C[5]C[5]O[5]C)(CCCO)(H)2	O(CC3)(H)	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	C(C[5]C[5]O[5]C)(CCCO)(H)2	O(CC3)(H)	101.2685	0.063	2	101.2685	0.004	2	106.3823	11.878	15	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(H)2	O(CC3)(H)	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(H)2	O(CC3)(H)	106.5834	3.358	8	106.5834	11.278	8	106.3823	11.878	15	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:	C(CC[6]HH)(CH3)2(OH)	C(C[6]C[6,6a]C[6]C)(CCCO)(H)2	O(CC3)(H)	C(CC[6]HH)(CH3)2(OH)	C(C[6]C[6,6a]C[6]C)(CCCO)(H)2	O(CC3)(H)	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)3(OH)	C(NCoCH)(CCCO)(H)2	O(CC3)(H)	C(CHHN)3(OH)	C(NCoCH)(CCCO)(H)2	O(CC3)(H)	106.9957	2.560	3	106.9957	6.555	3	106.9957	6.555	3	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:Si-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CCHO)(SiC3)(OH)	C(CSiCO)(CCHH)(H)2	O(CSiCC)(H)	C(CCHH)(CCHO)(SiC3)(OH)	C(CSiCO)(CCHH)(H)2	O(CSiCC)(H)	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:P-4:P-4:O-2:	As-4:C-4:H-1:H-1:	C-4:H-1:	C(CAsHH)(PO3)2(OH)	C(AsC3)(COPP)(H)2	O(CCPP)(H)	C(CAsHH)(PO3)2(OH)	C(AsC3)(COPP)(H)2	O(CCPP)(H)	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(PO3)2(OH)	C(CCHH)(COPP)(H)2	O(CCPP)(H)	C(CCHH)(PO3)2(OH)	C(CCHH)(COPP)(H)2	O(CCPP)(H)	110.0432	2.503	13	110.0432	6.265	13	109.8072	5.348	16	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(PO3)2(OH)	C(CHHN)(COPP)(H)2	O(CCPP)(H)	C(CCHH)(PO3)2(OH)	C(CHHN)(COPP)(H)2	O(CCPP)(H)	108.3470	0.198	2	108.3470	0.039	2	109.8072	5.348	16	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(PO3)2(OH)	C(CN[6]HH)(COPP)(H)2	O(CCPP)(H)	C(CCHH)(PO3)2(OH)	C(CN[6]HH)(COPP)(H)2	O(CCPP)(H)	109.6590	0.000	1	109.6590	0.000	1	109.8072	5.348	16	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:P-4:P-4:O-2:	C-4:P-4:H-1:H-1:	C-4:H-1:	C(CHHP)(PO3)2(OH)	C(COPP)(PC3)(H)2	O(CCPP)(H)	C(CHHP)(PO3)2(OH)	C(COPP)(PC3)(H)2	O(CCPP)(H)	107.3960	0.000	1	107.3960	0.000	1	107.3960	0.000	1	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	C(CC[5,5,6]CO)(CC[5]HH)(H)2	O(CC[5,5,6]CC)(H)	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	C(CC[5,5,6]CO)(CC[5]HH)(H)2	O(CC[5,5,6]CC)(H)	111.5050	0.000	1	111.5050	0.000	1	106.5132	5.998	6	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	C(CC[5,5,6]CO)(CCHH)(H)2	O(CC[5,5,6]CC)(H)	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	C(CC[5,5,6]CO)(CCHH)(H)2	O(CC[5,5,6]CC)(H)	105.5148	0.150	5	105.5148	0.022	5	106.5132	5.998	6	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	C(CC[5,5]CO)(CC[5]HH)(H)2	O(CC[5,5]CC)(H)	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	C(CC[5,5]CO)(CC[5]HH)(H)2	O(CC[5,5]CC)(H)	104.7960	0.000	1	104.7960	0.000	1	104.7960	0.000	1	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:F-1:F-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCFF)2(OH)	C(CC[5]CO)(CF3)(F)2	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CCFF)2(OH)	C(CC[5]CO)(CF3)(F)2	O(CC[5]CC)(H)	107.2568	1.249	18	107.2568	1.559	18	107.2568	1.559	18	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	O(CC[5]CC)(H)	109.2440	0.000	1	109.2440	0.000	1	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	C(CC[4,5]HO)(CC[5]CO)(H)2	O(CC[5]CC)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	C(CC[4,5]HO)(CC[5]CO)(H)2	O(CC[5]CC)(H)	111.7040	0.000	1	111.7040	0.000	1	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	O(CC[5]CC)(H)	107.5820	1.123	2	107.5820	1.261	2	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	O(CC[5]CC)(H)	108.6827	1.673	6	108.6827	2.799	6	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	O(CC[5]CC)(H)	104.5880	0.000	1	104.5880	0.000	1	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2Fe)(CC[5]CO)(CCHH)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]2Fe)(CC[5]CO)(CCHH)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	O(CC[5]CC)(H)	107.9725	1.831	2	107.9725	3.351	2	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[3]HH)(CC[5]CO)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[3]HH)(CC[5]CO)(H)2	O(CC[5]CC)(H)	107.2470	0.607	2	107.2470	0.368	2	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	O(CC[5]CC)(H)	107.5320	0.000	1	107.5320	0.000	1	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	O(CC[5]CC)(H)	106.6670	0.000	1	106.6670	0.000	1	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HO)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HO)(H)2	O(CC[5]CC)(H)	106.6880	0.000	1	106.6880	0.000	1	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	O(CC[5]CC)(H)	109.5637	0.243	4	109.5637	0.059	4	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	O(CC[5]CC)(H)	106.3250	4.650	2	106.3250	21.622	2	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C(CC[4]HH)(CC[5]CO)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C(CC[4]HH)(CC[5]CO)(H)2	O(CC[5]CC)(H)	106.9420	0.000	1	106.9420	0.000	1	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CH3)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CH3)(H)2	O(CC[5]CC)(H)	107.9060	0.000	1	107.9060	0.000	1	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	O(CC[5]CC)(H)	106.2130	0.000	1	106.2130	0.000	1	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	O(CC[5]CC)(H)	104.7710	0.000	1	104.7710	0.000	1	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CCHH)2(OH)	C(CC[5]CO)(CH3)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CCHH)2(OH)	C(CC[5]CO)(CH3)(H)2	O(CC[5]CC)(H)	106.7260	3.550	2	106.7260	12.600	2	107.8104	4.158	30	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	C(C[5]C[5]2O)(CC[5]CO)(H)2	O(CC[5]CC)(H)	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	C(C[5]C[5]2O)(CC[5]CO)(H)2	O(CC[5]CC)(H)	105.7930	0.000	1	105.7930	0.000	1	105.5165	0.153	2	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	C(C[5]C[5,6]O[5]H)(CC[5]CO)(H)2	O(CC[5]CC)(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	C(C[5]C[5,6]O[5]H)(CC[5]CO)(H)2	O(CC[5]CC)(H)	105.2400	0.000	1	105.2400	0.000	1	105.5165	0.153	2	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	C(CC[6]CO)(CCHH)(H)2	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	C(CC[6]CO)(CCHH)(H)2	O(CC[6]CC)(H)	104.2460	0.635	2	104.2460	0.403	2	104.2460	0.403	2	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:1:	P-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(PC[6a]OO)(CCHH)(CH3)(OH)	C(CCCH)(CCOP)(H)2	O(CCCP)(H)	C(PC[6a]OO)(CCHH)(CH3)(OH)	C(CCCH)(CCOP)(H)2	O(CCCP)(H)	112.1675	1.539	2	112.1675	2.370	2	112.1675	2.370	2	107.8380	7.103	180	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:2:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:	C(CC[6]HH)(CH3)2(OO)	C(C[6]C[5a,6]N[6,6]H)(CCCO)(H)2	O(CC3)(OC)	C(CC[6]HH)(CH3)2(OO)	C(C[6]C[5a,6]N[6,6]H)(CCCO)(H)2	O(CC3)(OC)	111.2960	0.000	1	111.2960	0.000	1	111.2960	0.000	1	111.2960	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:Br-1:H-1:	C-4:C-4:	C(CBrCH)(CH3)2(OC)	C(CCCO)(CCHH)(Br)(H)	O(CCCH)(CC3)	C(CBrCH)(CH3)2(OC)	C(CCCO)(CCHH)(Br)(H)	O(CCCH)(CC3)	107.5780	0.000	1	107.5780	0.000	1	107.5240	0.071	3	109.6356	21.850	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:Br-1:H-1:	C-4:C-4:	C(CBrCH)(CH3)2(OC)	C(CC[6a]HH)(CCCO)(Br)(H)	O(CC3)(CH3)	C(CBrCH)(CH3)2(OC)	C(CC[6a]HH)(CCCO)(Br)(H)	O(CC3)(CH3)	107.4970	0.372	2	107.4970	0.138	2	107.5240	0.071	3	109.6356	21.850	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CBrHH)(CCHH)2(OC)	C(CCCO)(CCHH)(H)2	O(CCCH)(CC3)	C(CBrHH)(CCHH)2(OC)	C(CCCO)(CCHH)(H)2	O(CCCH)(CC3)	107.5880	5.722	2	107.5880	32.740	2	109.9813	34.421	7	109.6356	21.850	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCH)(CCCO)(H)2	O(CC3)(CH3)	C(CCHH)(CCHO)(CH3)(OC)	C(CCCH)(CCCO)(H)2	O(CC3)(CH3)	104.1820	0.024	2	104.1820	0.001	2	109.9813	34.421	7	109.6356	21.850	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CF3)2(OC)	C(CCCO)(CHOO)(H)2	O(CCHO)(CC3)	C(CCHH)(CF3)2(OC)	C(CCCO)(CHOO)(H)2	O(CCHO)(CC3)	116.3945	0.377	2	116.3945	0.142	2	109.9813	34.421	7	109.6356	21.850	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CHHS)(CH3)(OC)	C(CC[6a]CH)(CCCO)(H)2	O(CC3)(CH3)	C(CCHH)(CHHS)(CH3)(OC)	C(CC[6a]CH)(CCCO)(H)2	O(CC3)(CH3)	113.5400	0.000	1	113.5400	0.000	1	109.9813	34.421	7	109.6356	21.850	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	Si-4:C-4:	C(CCHH)(CH3)2(OSi)	C(CCCO)(CHHS)(H)2	O(SiC3)(CC3)	C(CCHH)(CH3)2(OSi)	C(CCCO)(CHHS)(H)2	O(SiC3)(CC3)	105.9575	0.467	2	105.9575	0.218	2	105.9575	0.218	2	109.6356	21.850	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:4:	C-4:C-4:C-4:O-2:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[3]HH)(CCHO)(CH3)(OC)	C(C[3]C[3]O[3]H)(CCCO)(H)2	O(CCHH)(CC3)	C(CC[3]HH)(CCHO)(CH3)(OC)	C(C[3]C[3]O[3]H)(CCCO)(H)2	O(CCHH)(CC3)	115.8940	0.001	2	115.8940	0.000	2	115.8940	0.000	2	109.6356	21.850	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:4:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(CCHO)(CH3)(OC)	C(C[5]C[5]O[5]H)(CCCO)(H)2	O(CCCH)(CC3)	C(CC[5]HH)(CCHO)(CH3)(OC)	C(C[5]C[5]O[5]H)(CCCO)(H)2	O(CCCH)(CC3)	110.2820	0.000	1	110.2820	0.000	1	111.2645	1.931	2	109.6356	21.850	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:4:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(CH3)2(OC)	C(C[5]C[5,5,6]N[5]H)(CCCO)(H)2	O(CCHH)(CC3)	C(CC[5]HH)(CH3)2(OC)	C(C[5]C[5,5,6]N[5]H)(CCCO)(H)2	O(CCHH)(CC3)	112.2470	0.000	1	112.2470	0.000	1	111.2645	1.931	2	109.6356	21.850	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(C[5]C[5]N[5]H)(CCHH)2(OC)	C(CC[5]CO)(CH3)(H)2	O(CC[5]CC)(CH3)	C(C[5]C[5]N[5]H)(CCHH)2(OC)	C(CC[5]CO)(CH3)(H)2	O(CC[5]CC)(CH3)	107.3840	5.252	2	107.3840	27.588	2	107.3840	27.588	2	109.6356	21.850	18	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CBrHH)(CCHH)(CCHO)(OH)	C(CBrHH)(CCCO)(OH)(H)	O(CC3)(H)	C(CBrHH)(CCHH)(CCHO)(OH)	C(CBrHH)(CCCO)(OH)(H)	O(CC3)(H)	109.1740	0.000	1	109.1740	0.000	1	107.7700	6.533	29	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CBrHH)(CCHO)(CH3)(OH)	C(CBrHH)(CCCO)(OH)(H)	O(CC3)(H)	C(CBrHH)(CCHO)(CH3)(OH)	C(CBrHH)(CCCO)(OH)(H)	O(CC3)(H)	110.7800	0.000	1	110.7800	0.000	1	107.7700	6.533	29	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OC)(H)	O(CC3)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OC)(H)	O(CC3)(H)	105.7517	4.316	3	105.7517	18.628	3	107.7700	6.533	29	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	O(CC3)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	O(CC3)(H)	108.4083	1.025	3	108.4083	1.052	3	107.7700	6.533	29	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CHHO)(OH)(H)	O(CC3)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CHHO)(OH)(H)	O(CC3)(H)	108.2470	0.174	2	108.2470	0.030	2	107.7700	6.533	29	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CH3)2(OH)	C(CCCO)(CCHH)(OC)(H)	O(CC3)(H)	C(CCHO)(CH3)2(OH)	C(CCCO)(CCHH)(OC)(H)	O(CC3)(H)	107.0645	4.400	2	107.0645	19.363	2	107.7700	6.533	29	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CH3)2(OH)	C(CCCO)(CCHH)(OH)(H)	O(CC3)(H)	C(CCHO)(CH3)2(OH)	C(CCCO)(CCHH)(OH)(H)	O(CC3)(H)	106.8886	2.723	5	106.8886	7.416	5	107.7700	6.533	29	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CH3)2(OH)	C(CC[6a]HH)(CCCO)(OH)(H)	O(CC3)(H)	C(CCHO)(CH3)2(OH)	C(CC[6a]HH)(CCCO)(OH)(H)	O(CC3)(H)	108.6335	1.012	2	108.6335	1.024	2	107.7700	6.533	29	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)(CH3)2(OH)	C(CC[6a]HN)(CCCO)(OH)(H)	O(CC3)(H)	C(CCHO)(CH3)2(OH)	C(CC[6a]HN)(CCCO)(OH)(H)	O(CC3)(H)	105.9190	0.000	1	105.9190	0.000	1	107.7700	6.533	29	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(CH3)(OH)	C(CCCH)(CCCO)(OH)(H)	O(CC3)(H)	C(CCHO)2(CH3)(OH)	C(CCCH)(CCCO)(OH)(H)	O(CC3)(H)	110.8570	0.000	1	110.8570	0.000	1	107.7700	6.533	29	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(CH3)(OH)	C(CCCH)(CCCO)(OSi)(H)	O(CC3)(H)	C(CCHO)2(CH3)(OH)	C(CCCH)(CCCO)(OSi)(H)	O(CC3)(H)	111.8095	0.228	2	111.8095	0.052	2	107.7700	6.533	29	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(CH3)(OH)	C(CCCO)(CCHH)(OC)(H)	O(CC3)(H)	C(CCHO)2(CH3)(OH)	C(CCCO)(CCHH)(OC)(H)	O(CC3)(H)	108.9410	0.000	1	108.9410	0.000	1	107.7700	6.533	29	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	O(CC3)(H)	C(CCHO)2(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	O(CC3)(H)	106.2070	0.081	2	106.2070	0.006	2	107.7700	6.533	29	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	O(CC3)(H)	C(CC[5]HH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	O(CC3)(H)	106.6240	0.000	1	106.6240	0.000	1	107.7700	6.533	29	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	C(CCCO)(CCHO)(OC)(H)	O(CC3)(H)	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	C(CCCO)(CCHO)(OC)(H)	O(CC3)(H)	106.0950	1.829	2	106.0950	3.344	2	107.7700	6.533	29	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	O(CC3)(H)	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	O(CC3)(H)	109.3285	1.207	2	109.3285	1.457	2	108.6512	1.572	18	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	O(CC3)(H)	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	O(CC3)(H)	108.6845	1.609	8	108.6845	2.590	8	108.6512	1.572	18	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CCHH)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	O(CC3)(H)	C(CC[5]HO)(CCHH)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	O(CC3)(H)	108.4523	0.123	3	108.4523	0.015	3	108.6512	1.572	18	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[5]HO)(CH3)2(OH)	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	O(CC3)(H)	C(CC[5]HO)(CH3)2(OH)	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	O(CC3)(H)	108.4462	1.210	5	108.4462	1.464	5	108.6512	1.572	18	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[6]HO)(CCHH)(CH3)(OH)	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	O(CC3)(H)	C(CC[6]HO)(CCHH)(CH3)(OH)	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	O(CC3)(H)	108.2340	0.000	1	108.2340	0.000	1	108.8223	2.739	3	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[6]HO)(CCHH)(CH3)(OH)	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	O(CC3)(H)	C(CC[6]HO)(CCHH)(CH3)(OH)	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	O(CC3)(H)	110.6910	0.000	1	110.6910	0.000	1	108.8223	2.739	3	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:	C(CC[6]HO)(CH3)2(OH)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	O(CC3)(H)	C(CC[6]HO)(CH3)2(OH)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	O(CC3)(H)	107.5420	0.000	1	107.5420	0.000	1	108.8223	2.739	3	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C-4:C-4:Si-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHH)(CCHO)(SiC3)(OH)	C(CSiCO)(CHHO)(OC)(H)	O(CSiCC)(H)	C(CCHH)(CCHO)(SiC3)(OH)	C(CSiCO)(CHHO)(OC)(H)	O(CSiCC)(H)	104.1590	0.000	1	104.1590	0.000	1	104.1590	0.000	1	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(CC[5]CO)(CCHH)(OH)(H)	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(CC[5]CO)(CCHH)(OH)(H)	O(CC[5]CC)(H)	106.8846	0.891	5	106.8846	0.795	5	106.9613	0.671	6	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(OH)(H)	O(CC[5]CC)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(OH)(H)	O(CC[5]CC)(H)	107.3450	0.000	1	107.3450	0.000	1	106.9613	0.671	6	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	C(CC[6]CO)(CCHH)(OC)(H)	O(CC[6]CC)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	C(CC[6]CO)(CCHH)(OC)(H)	O(CC[6]CC)(H)	107.2640	0.000	1	107.2640	0.000	1	107.2640	0.000	1	107.9433	4.408	58	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	O(CCHH)(CC3)	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	O(CCHH)(CC3)	107.9630	0.000	1	107.9630	0.000	1	109.1125	1.137	6	107.3622	8.203	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(CH3)2(OC)	C(CCCO)(CCHH)(OC)(H)	O(CCCH)(CC3)	C(CCHO)(CH3)2(OC)	C(CCCO)(CCHH)(OC)(H)	O(CCCH)(CC3)	110.1010	0.000	1	110.1010	0.000	1	109.1125	1.137	6	107.3622	8.203	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CCHO)(CH3)2(OC)	C(CCCO)(CCHH)(OH)(H)	O(CCCH)(CC3)	C(CCHO)(CH3)2(OC)	C(CCCO)(CCHH)(OH)(H)	O(CCCH)(CC3)	109.8790	0.000	1	109.8790	0.000	1	109.1125	1.137	6	107.3622	8.203	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[3]HH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	O(CCHH)(CC3)	C(CC[3]HH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	O(CCHH)(CC3)	108.2430	0.006	2	108.2430	0.000	2	109.1125	1.137	6	107.3622	8.203	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[5]HH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	O(CCCH)(CC3)	C(CC[5]HH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	O(CCCH)(CC3)	110.2460	0.000	1	110.2460	0.000	1	109.1125	1.137	6	107.3622	8.203	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	Si-4:C-4:	C(CCHO)2(CH3)(OSi)	C(CCCO)(CHHO)(OC)(H)	O(SiC[6a]2C)(CC3)	C(CCHO)2(CH3)(OSi)	C(CCCO)(CHHO)(OC)(H)	O(SiC[6a]2C)(CC3)	105.6270	0.000	1	105.6270	0.000	1	105.6270	0.000	1	107.3622	8.203	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:4:	C-4:C-4:C-4:O-2:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[3]HO)(CH3)2(OC)	C(C[3]C[3]O[3]H)(CCCO)(OH)(H)	O(CC3)(CH3)	C(CC[3]HO)(CH3)2(OC)	C(C[3]C[3]O[3]H)(CCCO)(OH)(H)	O(CC3)(CH3)	103.2270	0.000	1	103.2270	0.000	1	103.2270	0.000	1	107.3622	8.203	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:2:1:	4:4:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:	C(CC[6]HO)(CH3)2(OC)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	O(CC3)(CH3)	C(CC[6]HO)(CH3)2(OC)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	O(CC3)(CH3)	102.7310	0.000	1	102.7310	0.000	1	102.7310	0.000	1	107.3622	8.203	9	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:3:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CH3)2(OH)	C(CCCO)(CH3)(CCH)(H)	O(CC3)(H)	C(CCCH)(CH3)2(OH)	C(CCCO)(CH3)(CCH)(H)	O(CC3)(H)	105.0820	0.000	1	105.0820	0.000	1	106.7195	7.516	4	106.9496	3.686	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:3:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CH3)2(OH)	C(CC[4]CH)(CCCO)(CCH)(H)	O(CC3)(H)	C(CCCH)(CH3)2(OH)	C(CC[4]CH)(CCCO)(CCH)(H)	O(CC3)(H)	106.2110	0.000	1	106.2110	0.000	1	106.7195	7.516	4	106.9496	3.686	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:3:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(CCCO)(CCHH)(CCO)(H)	O(CC3)(H)	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(CCCO)(CCHH)(CCO)(H)	O(CC3)(H)	104.8510	0.000	1	104.8510	0.000	1	106.7195	7.516	4	106.9496	3.686	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:3:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CCCO)(CCHH)(CCH)(H)	O(CC3)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CCCO)(CCHH)(CCH)(H)	O(CC3)(H)	110.7340	0.000	1	110.7340	0.000	1	106.7195	7.516	4	106.9496	3.686	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:3:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CH3)2(OH)	C(CC[6a]HH)(CCCO)(NCH)(H)	O(CC3)(H)	C(CCHN)(CH3)2(OH)	C(CC[6a]HH)(CCCO)(NCH)(H)	O(CC3)(H)	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	106.9496	3.686	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:3:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:N-4:C-3:H-1:	C-4:H-1:	C(CCHN)(CFFH)(CH3)(OH)	C(CCCO)(NH3)(COO)(H)	O(CC3)(H)	C(CCHN)(CFFH)(CH3)(OH)	C(CCCO)(NH3)(COO)(H)	O(CC3)(H)	109.0300	0.000	1	109.0300	0.000	1	109.0300	0.000	1	106.9496	3.686	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:3:1:	4:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:	C(CC[6]CH)(CCHH)2(OH)	C(C[6]C[6]N[6]H)(CCCO)(CCH)(H)	O(CC3)(H)	C(CC[6]CH)(CCHH)2(OH)	C(C[6]C[6]N[6]H)(CCCO)(CCH)(H)	O(CC3)(H)	107.2590	0.000	1	107.2590	0.000	1	106.7190	0.583	2	106.9496	3.686	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:3:1:	4:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:	C(CC[6]CH)(CH3)2(OH)	C(C[6]C[4,6]C[6]H)(CCCO)(CCH)(H)	O(CC3)(H)	C(CC[6]CH)(CH3)2(OH)	C(C[6]C[4,6]C[6]H)(CCCO)(CCH)(H)	O(CC3)(H)	106.1790	0.000	1	106.1790	0.000	1	106.7190	0.583	2	106.9496	3.686	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:3:1:	4:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:	C(CC[6]HN)(CH3)2(OH)	C(C[6]C[6]2Cr)(CCCO)(NCO)(H)	O(CC3)(H)	C(CC[6]HN)(CH3)2(OH)	C(C[6]C[6]2Cr)(CCCO)(NCO)(H)	O(CC3)(H)	106.0000	0.000	1	106.0000	0.000	1	106.0000	0.000	1	106.9496	3.686	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:3:1:	4:1:	C-4:C-4:P-4:O-2:	C-4:C-4:N-3:H-1:	C-4:H-1:	C(CCHN)(CH3)(PO3)(OH)	C(CCOP)(CH3)(NOO)(H)	O(CCCP)(H)	C(CCHN)(CH3)(PO3)(OH)	C(CCOP)(CH3)(NOO)(H)	O(CCCP)(H)	105.5810	0.000	1	105.5810	0.000	1	105.5810	0.000	1	106.9496	3.686	10	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:3:2:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-3:O-2:	C-4:H-1:	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(CCCO)(CF3)(COO)(OH)	O(CC3)(H)	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(CCCO)(CF3)(COO)(OH)	O(CC3)(H)	111.1080	0.040	2	111.1080	0.002	2	111.1080	0.002	2	111.1080	0.002	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CCHH)2(OH)	C(CCCO)(CH3)2(H)	O(CC3)(H)	C(CCCH)(CCHH)2(OH)	C(CCCO)(CH3)2(H)	O(CC3)(H)	109.1045	1.143	2	109.1045	1.307	2	108.1436	4.371	17	107.9932	5.869	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CH3)2(OH)	C(CC[3,5]HH)(CCCO)(CCHH)(H)	O(CC3)(H)	C(CCCH)(CH3)2(OH)	C(CC[3,5]HH)(CCCO)(CCHH)(H)	O(CC3)(H)	107.5795	1.447	4	107.5795	2.094	4	108.1436	4.371	17	107.9932	5.869	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)(CH3)2(OH)	C(CC[5]HH)(CCCO)(CCHH)(H)	O(CC3)(H)	C(CCCH)(CH3)2(OH)	C(CC[5]HH)(CCCO)(CCHH)(H)	O(CC3)(H)	107.9100	0.000	1	107.9100	0.000	1	108.1436	4.371	17	107.9932	5.869	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CCCH)2(CCHH)(OH)	C(CCCO)(CCHH)(CH3)(H)	O(CC3)(H)	C(CCCH)2(CCHH)(OH)	C(CCCO)(CCHH)(CH3)(H)	O(CC3)(H)	104.6475	1.005	2	104.6475	1.010	2	108.1436	4.371	17	107.9932	5.869	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CCCO)(CCHH)(CCHO)(H)	O(CC3)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CCCO)(CCHH)(CCHO)(H)	O(CC3)(H)	106.7530	0.093	2	106.7530	0.009	2	108.1436	4.371	17	107.9932	5.869	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(CC[6a]HH)(CCCO)(CH3)(H)	O(CC3)(H)	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(CC[6a]HH)(CCCO)(CH3)(H)	O(CC3)(H)	108.5587	0.040	3	108.5587	0.002	3	108.1436	4.371	17	107.9932	5.869	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(CC[6a]HH)(CCCO)(CH3)(H)	O(CC3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(CC[6a]HH)(CCCO)(CH3)(H)	O(CC3)(H)	110.1060	0.000	1	110.1060	0.000	1	108.1436	4.371	17	107.9932	5.869	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(CC[6a]HO)(CCCO)(CH3)(H)	O(CC3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(CC[6a]HO)(CCCO)(CH3)(H)	O(CC3)(H)	111.7110	0.095	2	111.7110	0.009	2	108.1436	4.371	17	107.9932	5.869	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:1:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-1:	C-4:H-1:	C(CCCO)(CH3)2(OH)	C(CCCO)(CH3)2(O)	O(CC3)(H)	C(CCCO)(CH3)2(OH)	C(CCCO)(CH3)2(O)	O(CC3)(H)	108.0673	3.287	4	108.0673	10.806	4	108.0673	10.806	4	107.9932	5.869	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:1:	4:1:	C[3]-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:	C(C[3]C[3]2C)(CCCH)2(OH)	C(CC[3]CO)(CH3)2(H)	O(CC[3]CC)(H)	C(C[3]C[3]2C)(CCCH)2(OH)	C(CC[3]CO)(CH3)2(H)	O(CC[3]CC)(H)	106.5660	4.722	2	106.5660	22.298	2	106.5660	22.298	2	107.9932	5.869	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(CH3)2(OC)	C(CCCO)(CCHO)(CHHO)(H)	O(CCCH)(CC3)	C(CCCH)(CH3)2(OC)	C(CCCO)(CCHO)(CHHO)(H)	O(CCCH)(CC3)	110.3410	0.000	1	110.3410	0.000	1	108.4770	19.712	3	108.4770	19.712	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)(CH3)2(OC)	C(CCCO)(CH3)2(H)	O(CCHH)(CC3)	C(CCCH)(CH3)2(OC)	C(CCCO)(CH3)2(H)	O(CCHH)(CC3)	103.4090	0.000	1	103.4090	0.000	1	108.4770	19.712	3	108.4770	19.712	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:1:	4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:C-4:	C(CCCH)2(CH3)(OC)	C(CCCO)(CH3)2(H)	O(CC3)(CH3)	C(CCCH)2(CH3)(OC)	C(CCCO)(CH3)2(H)	O(CC3)(CH3)	111.6810	0.000	1	111.6810	0.000	1	108.4770	19.712	3	108.4770	19.712	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:2:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(CH3)(OH)	O(CC3)(H)	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(CH3)(OH)	O(CC3)(H)	105.1170	2.500	2	105.1170	6.252	2	107.1096	5.111	21	106.9474	5.156	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:2:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CCHH)2(OH)	C(CCCO)(CCHH)2(OH)	O(CC3)(H)	C(CCCO)(CCHH)2(OH)	C(CCCO)(CCHH)2(OH)	O(CC3)(H)	103.7420	2.794	2	103.7420	7.809	2	107.1096	5.111	21	106.9474	5.156	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:2:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	C-4:H-1:	C(CCCO)(CH3)2(OH)	C(CCCO)(CH3)2(OH)	O(CC3)(H)	C(CCCO)(CH3)2(OH)	C(CCCO)(CH3)2(OH)	O(CC3)(H)	107.7402	1.782	17	107.7402	3.174	17	107.1096	5.111	21	106.9474	5.156	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:2:	4:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:	C(C[5]C[5]2Fe)(CC[5]CO)(CCHH)(OH)	C(C[5]C[5]2Fe)(CC[5]CO)(CCHH)(OH)	O(CC[5]CC)(H)	C(C[5]C[5]2Fe)(CC[5]CO)(CCHH)(OH)	C(C[5]C[5]2Fe)(CC[5]CO)(CCHH)(OH)	O(CC[5]CC)(H)	105.2445	2.201	2	105.2445	4.845	2	105.2445	4.845	2	106.9474	5.156	23	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:3:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:C-3:	C-4:H-1:	C(CC3)(CF3)2(OH)	C(CCCO)(CH3)2(CCN)	O(CC3)(H)	C(CC3)(CF3)2(OH)	C(CCCO)(CH3)2(CCN)	O(CC3)(H)	113.1350	0.000	1	113.1350	0.000	1	113.1350	0.000	1	113.1350	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:4:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CN[5]HH)(CCHH)(CC3)(OH)	C(CCCO)(CH3)3	O(CC3)(H)	C(CN[5]HH)(CCHH)(CC3)(OH)	C(CCCO)(CH3)3	O(CC3)(H)	109.5435	0.493	2	109.5435	0.243	2	109.7213	0.216	3	109.7213	0.216	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	4:4:4:2:	4:4:4:4:	4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:H-1:	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(CCCO)(CH3)3	O(CC3)(H)	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(CCCO)(CH3)3	O(CC3)(H)	110.0770	0.000	1	110.0770	0.000	1	109.7213	0.216	3	109.7213	0.216	3	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	5:4:2:1:	4:4:4:1:	4:4:	C[3]-5:C-4:O-2:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:	C(C[3]H[3]2HO)(CC[3]CH)(OC)(H)	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	O(CC[3]CH)(CH3)	C(C[3]H[3]2HO)(CC[3]CH)(OC)(H)	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	O(CC[3]CH)(CH3)	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	6:4:2:1:	4:1:1:1:	4:4:	C[5x3,5x5,20x6]-6:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(OC)(H)	C(CC[5x3,5x5,20x6]HO)(H)3	O(CC[5x3,5x5,20x6]CH)(CCHH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(OC)(H)	C(CC[5x3,5x5,20x6]HO)(H)3	O(CC[5x3,5x5,20x6]CH)(CCHH)	113.4830	0.754	2	113.4830	0.568	2	113.4830	0.568	2	113.4830	0.568	2	109.5812	10.739	27105	109.5812	10.739	27105
490	490	893	0:SP3_SP3_SP3	C	C	O	6:6:4:2:	4:1:1:1:	4:1:	P-6:P-6:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(PRu2O3)2(CH3)(OH)	C(COPP)(H)3	O(CCPP)(H)	C(PRu2O3)2(CH3)(OH)	C(COPP)(H)3	O(CCPP)(H)	108.5050	3.362	3	108.5050	11.304	3	108.5050	11.304	3	108.5050	11.304	3	109.5812	10.739	27105	109.5812	10.739	27105