490	892	956	0:SP3_SP2_SP3	C	N	N	4:3:1:1:	4:4:4:1:	4:3:1:	N-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(NCCH)(NCH)(H)2	N(CCHH)2(CHHN)(H)	N(CHHN)(CCO)(H)	C(NCCH)(NCH)(H)2	N(CCHH)2(CHHN)(H)	N(CHHN)(CCO)(H)	112.8490	0.151	2	112.8490	0.023	2	112.8490	0.023	2	112.8490	0.023	2	112.8490	0.023	2	112.8490	0.023	2
490	892	956	0:SP3_SP3_SP3	C	N	N	4:3:1:1:	4:4:4:1:	4:4:4:	N-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:	C(NCCH)(NCC)(H)2	N(CHHN)(CH3)2(H)	N(CHHN)(CH3)2	C(NCCH)(NCC)(H)2	N(CHHN)(CH3)2(H)	N(CHHN)(CH3)2	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	112.1615	4.150	2	112.1615	4.150	2
490	892	956	0:SP3_SP3_SP3	C	N	N	4:3:1:1:	4:4:4:4:	4:4:4:	N-4:N-3:H-1:H-1:	C-4:B-4:C-4:C-4:	C-4:C-4:C-4:	C(NBCC)(NCC)(H)2	N(CHHN)(BH3)(CH3)2	N(CHHN)(CH3)2	C(NBCC)(NCC)(H)2	N(CHHN)(BH3)(CH3)2	N(CHHN)(CH3)2	113.6020	0.000	1	113.6020	0.000	1	113.6020	0.000	1	113.6020	0.000	1	112.1615	4.150	2	112.1615	4.150	2
490	892	983	0:SP3_SP1_SP3	C	N	C	4:2:1:1:	4:1:1:1:	4:1:	N-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(NH3)(CN)(H)2	N(CCHH)(H)3	C(CHHN)(N)	C(NH3)(CN)(H)2	N(CCHH)(H)3	C(CHHN)(N)	111.6233	1.118	3	111.6233	1.249	3	111.6233	1.249	3	111.6233	1.249	3	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:2:1:1:	4:1:1:1:	4:2:	N-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(NH3)(CN)(H)2	N(CCHH)(H)3	C(CHHN)(NH)	C(NH3)(CN)(H)2	N(CCHH)(H)3	C(CHHN)(NH)	111.2500	0.000	1	111.2500	0.000	1	111.2500	0.000	1	111.2500	0.000	1	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:2:1:1:	4:4:1:1:	4:2:	N-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(NCHH)(CC)(H)2	N(CCCH)(CCHH)(H)2	C(CHHN)(CH)	C(NCHH)(CC)(H)2	N(CCCH)(CCHH)(H)2	C(CHHN)(CH)	109.9650	0.105	2	109.9650	0.011	2	109.9650	0.011	2	109.9650	0.011	2	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:2:1:1:	4:4:2:2:	4:2:	N-4:C-2:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:C-2:	C(NC3)(CC)(H)2	N(CCHH)2(CC)2	C(CHHN)(CC)	C(NC3)(CC)(H)2	N(CCHH)2(CC)2	C(CHHN)(CC)	115.5710	0.000	1	115.5710	0.000	1	115.5710	0.000	1	115.5710	0.000	1	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:2:1:1:	4:4:4:1:	4:2:	N-4:C-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-2:	C(NCCH)(CC)(H)2	N(CCHH)3(H)	C(CHHN)(CH)	C(NCCH)(CC)(H)2	N(CCHH)3(H)	C(CHHN)(CH)	110.7710	0.000	1	110.7710	0.000	1	110.4133	4.070	3	111.3958	4.029	5	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:2:1:1:	4:4:4:1:	4:2:	N-4:C-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-2:	C(NCCH)(CC)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(CC)	C(NCCH)(CC)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(CC)	110.2345	2.819	2	110.2345	7.948	2	110.4133	4.070	3	111.3958	4.029	5	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:2:1:1:	4:4:4:1:	4:2:	N-4:C-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:N-2:	C(NCCH)(CN)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(NH)	C(NCCH)(CN)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(NH)	112.8695	0.859	2	112.8695	0.738	2	112.8695	0.738	2	111.3958	4.029	5	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:2:1:1:	4:4:4:1:	4:4:	N-4:C-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:N-4:	C(NCCH)(CN)(H)2	N(CCHH)3(H)	C(CHHN)(NCHH)	C(NCCH)(CN)(H)2	N(CCHH)3(H)	C(CHHN)(NCHH)	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:2:1:1:	4:4:4:4:	4:2:	N-4:C-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-2:	C(NC3)(CC)(H)2	N(CCHH)2(CH3)2	C(CHHN)(CH)	C(NC3)(CC)(H)2	N(CCHH)2(CH3)2	C(CHHN)(CH)	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:2:1:1:	4:4:4:4:	4:4:	N-4:C-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(NC3)(CC)(H)2	N(CCHH)4	C(CCHH)(CHHN)	C(NC3)(CC)(H)2	N(CCHH)4	C(CCHH)(CHHN)	116.2740	0.000	1	116.2740	0.000	1	116.2740	0.000	1	116.2740	0.000	1	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:2:1:1:	6:4:4:4:	4:2:	N-4:C-2:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:C-4:C-4:	C-4:C-2:	C(NB[5x3,5x5,20x6]CC)(CC)(H)2	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)3	C(CHHN)(CH)	C(NB[5x3,5x5,20x6]CC)(CC)(H)2	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)3	C(CHHN)(CH)	114.5847	0.686	3	114.5847	0.470	3	114.5847	0.470	3	114.5847	0.470	3	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:2:2:1:	4:1:1:1:	4:1:	N-4:C-2:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(NH3)(CN)2(H)	N(CCCH)(H)3	C(CCHN)(N)	C(NH3)(CN)2(H)	N(CCCH)(H)3	C(CCHN)(N)	110.4090	0.964	2	110.4090	0.930	2	110.4090	0.930	2	110.4090	0.930	2	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:2:2:1:	4:4:4:4:	2:4:	N-4:C-2:S-2:H-1:	C-4:C-4:C-4:C-4:	C-2:C-4:	C(NC3)(CC)(SC)(H)	N(CCHS)(CH3)3	C(CC[6a])(CHNS)	C(NC3)(CC)(SC)(H)	N(CCHS)(CH3)3	C(CC[6a])(CHNS)	109.3900	0.000	1	109.3900	0.000	1	109.3900	0.000	1	109.3900	0.000	1	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:3:2:2:	4:4:4:1:	2:4:	N-4:C-3:C-2:C-2:	C-4:C-4:C-4:H-1:	C-2:C-4:	C(NCCH)(CCH)(CC)2	N(CC3)(CH3)2(H)	C(CC[6a])(CCCN)	C(NCCH)(CCH)(CC)2	N(CC3)(CH3)2(H)	C(CC[6a])(CCCN)	110.3430	2.683	2	110.3430	7.197	2	110.3430	7.197	2	110.3430	7.197	2	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:4:2:1:	3:4:4:1:	4:2:	C[6]-4:N-4:C-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-2:	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(CC[6]HN)(CH)	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(CC[6]HN)(CH)	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	109.8275	4.569	2	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:4:2:1:	3:4:4:1:	4:2:	N-4:C-4:C-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-2:	C(NC[6a]CH)(CCHH)(CC)(H)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CCHN)(CH)	C(NC[6a]CH)(CCHH)(CC)(H)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CCHN)(CH)	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	109.8275	4.569	2	111.4491	5.198	27	111.4491	5.198	27
490	892	983	0:SP3_SP1_SP3	C	N	C	4:4:2:1:	4:4:4:4:	2:4:	C-4:N-4:C-2:H-1:	C-4:C-4:C-4:C-4:	C-2:C-4:	C(CH3)(NC3)(CC)(H)	N(CCCH)(CH3)3	C(CC[6a])(CCHN)	C(CH3)(NC3)(CC)(H)	N(CCCH)(CH3)3	C(CC[6a])(CCHN)	108.7960	0.219	2	108.7960	0.048	2	108.7960	0.048	2	108.7960	0.048	2	111.4491	5.198	27	111.4491	5.198	27
490	892	984	0:SP3_SP-NON_SP3	C	N	Ga	4:4:1:1:	4:4:4:1:	4:4:4:1:	Ga-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:Cl-1:	C(GaClCC)(NCCH)(H)2	N(CGaHH)(CCCH)2(H)	Ga(CHHN)(CC3)2(Cl)	C(GaClCC)(NCCH)(H)2	N(CGaHH)(CCCH)2(H)	Ga(CHHN)(CC3)2(Cl)	116.8410	0.000	1	116.8410	0.000	1	116.8410	0.000	1	116.8410	0.000	1	116.8410	0.000	1	116.8410	0.000	1
490	892	992	0:SP3_SP3_SP3	C	N	P	3:4:4:1:	3:4:1:1:	4:2:1:1:	C[6a]-3:N-4:P-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	P(CC[6a]HN)(OC)(O)2	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	P(CC[6a]HN)(OC)(O)2	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	3:4:4:1:	4:4:1:1:	4:2:1:1:	C[6a]-3:N-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	N(CC[6a]HP)(CCHH)(H)2	P(CC[6a]HN)(OC)(O)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	N(CC[6a]HP)(CCHH)(H)2	P(CC[6a]HN)(OC)(O)2	112.7450	0.000	1	112.7450	0.000	1	110.8727	2.643	3	110.8727	2.643	3	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	3:4:4:1:	4:4:1:1:	4:2:1:1:	C[6a]-3:N-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	N(CC[6a]HH)(CC[6a]HP)(H)2	P(CC[6a]HN)(OC)(O)2	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	N(CC[6a]HH)(CC[6a]HP)(H)2	P(CC[6a]HN)(OC)(O)2	109.8190	0.000	1	109.8190	0.000	1	110.8727	2.643	3	110.8727	2.643	3	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	3:4:4:1:	4:4:1:1:	4:2:1:1:	C[6a]-3:N-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	N(CC[6a]HP)(CCHH)(H)2	P(CC[6a]HN)(OC)(O)2	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	N(CC[6a]HP)(CCHH)(H)2	P(CC[6a]HN)(OC)(O)2	110.0540	0.000	1	110.0540	0.000	1	110.8727	2.643	3	110.8727	2.643	3	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:1:1:1:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(NH3)(PO3)(H)2	N(CHHP)(H)3	P(CHHN)(OH)(O)2	C(NH3)(PO3)(H)2	N(CHHP)(H)3	P(CHHN)(OH)(O)2	110.7160	0.001	2	110.7160	0.000	2	110.7160	0.000	2	110.7160	0.000	2	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:1:1:1:	4:4:1:1:	P-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:O-1:	C(PCOO)(NH3)(H)2	N(CHHP)(H)3	P(CCOP)(CHHN)(O)2	C(PCOO)(NH3)(H)2	N(CHHP)(H)3	P(CCOP)(CHHN)(O)2	113.9935	0.630	2	113.9935	0.397	2	112.9898	1.491	4	112.9898	1.491	4	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:1:1:1:	4:4:1:1:	P-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:O-1:	C(PCOO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)2(O)2	C(PCOO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)2(O)2	111.9860	0.214	2	111.9860	0.046	2	112.9898	1.491	4	112.9898	1.491	4	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:1:1:1:	4:4:2:1:	P-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-1:	C(PCOO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)2(OCd)(O)	C(PCOO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)2(OCd)(O)	112.4325	0.091	2	112.4325	0.008	2	112.6730	0.040	8	112.6730	0.040	8	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:1:1:1:	4:4:2:1:	P-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-1:	C(PCOO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)2(OCo)(O)	C(PCOO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)2(OCo)(O)	112.8315	0.033	2	112.8315	0.001	2	112.6730	0.040	8	112.6730	0.040	8	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:1:1:1:	4:4:2:1:	P-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-1:	C(PCOO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)2(OMn)(O)	C(PCOO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)2(OMn)(O)	112.8600	0.007	2	112.8600	0.000	2	112.6730	0.040	8	112.6730	0.040	8	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:1:1:1:	4:4:2:1:	P-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-1:	C(PCOO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)2(ONi)(O)	C(PCOO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)2(ONi)(O)	112.5680	0.098	2	112.5680	0.010	2	112.6730	0.040	8	112.6730	0.040	8	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:1:1:1:	4:4:4:1:	P-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-1:	C(PCCO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)(CH3)2(O)	C(PCCO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)(CH3)2(O)	113.1550	0.910	5	113.1550	0.828	5	113.1550	0.828	5	113.1550	0.828	5	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:1:1:1:	4:4:4:2:	P-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(PCCO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)(CH3)2(OCo)	C(PCCO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)(CH3)2(OCo)	111.1760	3.202	2	111.1760	10.251	2	111.4730	5.390	3	111.4730	5.390	3	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:1:1:1:	4:4:4:2:	P-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(PCCO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)(CH3)2(OMn)	C(PCCO)(NH3)(H)2	N(CHHP)(H)3	P(CHHN)(CH3)2(OMn)	112.0670	0.000	1	112.0670	0.000	1	111.4730	5.390	3	111.4730	5.390	3	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:1:1:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:O-1:O-1:	C(NCHH)(PHOO)(H)2	N(CC[6a]HH)(CHHP)(H)2	P(CHHN)(H)(O)2	C(NCHH)(PHOO)(H)2	N(CC[6a]HH)(CHHP)(H)2	P(CHHN)(H)(O)2	112.2330	0.129	2	112.2330	0.017	2	112.2330	0.017	2	113.7070	7.974	5	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:1:1:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(NCHH)(PO3)(H)2	N(CCHH)(CHHP)(H)2	P(CHHN)(O)3	C(NCHH)(PO3)(H)2	N(CCHH)(CHHP)(H)2	P(CHHN)(O)3	117.1280	0.000	1	117.1280	0.000	1	114.6897	12.319	3	113.7070	7.974	5	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:1:1:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(NCHH)(PO3)(H)2	N(CHHP)2(H)2	P(CHHN)(O)3	C(NCHH)(PO3)(H)2	N(CHHP)2(H)2	P(CHHN)(O)3	113.4705	3.965	2	113.4705	15.719	2	114.6897	12.319	3	113.7070	7.974	5	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:1:1:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(NCHH)(PO3)(H)2	N(CHHP)2(H)2	P(CHHN)(OH)(O)2	C(NCHH)(PO3)(H)2	N(CHHP)2(H)2	P(CHHN)(OH)(O)2	113.6385	1.160	20	113.6385	1.346	20	113.6385	1.346	20	113.6385	1.346	20	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	3:4:1:1:	P-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(PC[6a]OO)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	P(C[6a]C[6a]2)(CHHN)(O)2	C(PC[6a]OO)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	P(C[6a]C[6a]2)(CHHN)(O)2	113.3307	0.652	4	113.3307	0.425	4	113.9072	1.981	5	113.9072	1.981	5	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	3:4:1:1:	P-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(PC[6a]OO)(NCCH)(H)2	N(CC[6a]HH)2(CHHP)(H)	P(C[6a]C[6a]2)(CHHN)(O)2	C(PC[6a]OO)(NCCH)(H)2	N(CC[6a]HH)2(CHHP)(H)	P(C[6a]C[6a]2)(CHHN)(O)2	116.2130	0.000	1	116.2130	0.000	1	113.9072	1.981	5	113.9072	1.981	5	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:O-1:O-1:	C(NCCH)(PHOO)(H)2	N(CCCH)2(CHHP)(H)	P(CHHN)(H)(O)2	C(NCCH)(PHOO)(H)2	N(CCCH)2(CHHP)(H)	P(CHHN)(H)(O)2	116.1860	0.000	1	116.1860	0.000	1	115.9981	6.942	8	116.0801	5.462	10	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:O-1:O-1:	C(NCCH)(PHOO)(H)2	N(CCHH)(CHHP)(CH3)(H)	P(CHHN)(H)(O)2	C(NCCH)(PHOO)(H)2	N(CCHH)(CHHP)(CH3)(H)	P(CHHN)(H)(O)2	116.9970	0.000	1	116.9970	0.000	1	115.9981	6.942	8	116.0801	5.462	10	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:O-1:O-1:	C(NCCH)(PHOO)(H)2	N(CCHH)2(CHHP)(H)	P(CHHN)(H)(O)2	C(NCCH)(PHOO)(H)2	N(CCHH)2(CHHP)(H)	P(CHHN)(H)(O)2	110.7270	0.000	1	110.7270	0.000	1	115.9981	6.942	8	116.0801	5.462	10	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:O-1:O-1:	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)(CCHH)(CHHP)(H)	P(CHHN)(H)(O)2	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)(CCHH)(CHHP)(H)	P(CHHN)(H)(O)2	118.7470	0.000	1	118.7470	0.000	1	115.9981	6.942	8	116.0801	5.462	10	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:O-1:O-1:	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)(CHHP)2(H)	P(CHHN)(H)(O)2	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)(CHHP)2(H)	P(CHHN)(H)(O)2	114.1250	0.000	1	114.1250	0.000	1	115.9981	6.942	8	116.0801	5.462	10	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:O-1:O-1:	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)2(CHHP)(H)	P(CHHN)(H)(O)2	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)2(CHHP)(H)	P(CHHN)(H)(O)2	118.6730	0.000	1	118.6730	0.000	1	115.9981	6.942	8	116.0801	5.462	10	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:O-1:O-1:	C(NCCH)(PHOO)(H)2	N(CHHP)(CH3)2(H)	P(CHHN)(H)(O)2	C(NCCH)(PHOO)(H)2	N(CHHP)(CH3)2(H)	P(CHHN)(H)(O)2	117.1060	0.000	1	117.1060	0.000	1	115.9981	6.942	8	116.0801	5.462	10	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:O-1:O-1:	C(NCCH)(PHOO)(H)2	N(CHHP)2(CC3)(H)	P(CHHN)(H)(O)2	C(NCCH)(PHOO)(H)2	N(CHHP)2(CC3)(H)	P(CHHN)(H)(O)2	115.4240	0.000	1	115.4240	0.000	1	115.9981	6.942	8	116.0801	5.462	10	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-1:O-1:O-1:	C(NCCH)(PO3)(H)2	N(CCHH)2(CHHP)(H)	P(CHHN)(O)3	C(NCCH)(PO3)(H)2	N(CCHH)2(CHHP)(H)	P(CHHN)(O)3	116.7900	0.000	1	116.7900	0.000	1	116.7900	0.000	1	116.0801	5.462	10	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:1:1:1:	N-4:P-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:O-1:O-1:	C(NC[6]2H)(PHOO)(H)2	N(C[6]C[6]2H)2(CHHP)(H)	P(CHHN)(H)(O)2	C(NC[6]2H)(PHOO)(H)2	N(C[6]C[6]2H)2(CHHP)(H)	P(CHHN)(H)(O)2	116.0260	0.000	1	116.0260	0.000	1	116.0260	0.000	1	116.0801	5.462	10	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:O-1:	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)(CHHP)2(H)	P(CHHN)(OH)(H)(O)	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)(CHHP)2(H)	P(CHHN)(OH)(H)(O)	117.2560	0.000	1	117.2560	0.000	1	117.2420	0.000	2	115.3166	5.932	19	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:O-1:	C(NCCH)(PHOO)(H)2	N(CHHP)2(CC3)(H)	P(CHHN)(OH)(H)(O)	C(NCCH)(PHOO)(H)2	N(CHHP)2(CC3)(H)	P(CHHN)(OH)(H)(O)	117.2280	0.000	1	117.2280	0.000	1	117.2420	0.000	2	115.3166	5.932	19	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:O-1:	C(NCCH)(PO3)(H)2	N(CCCH)(CHHP)2(H)	P(CHHN)(OH)(O)2	C(NCCH)(PO3)(H)2	N(CCCH)(CHHP)2(H)	P(CHHN)(OH)(O)2	116.0310	0.000	1	116.0310	0.000	1	115.0901	6.156	17	115.3166	5.932	19	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:O-1:	C(NCCH)(PO3)(H)2	N(CCHH)(CHHP)(CH3)(H)	P(CHHN)(OH)(O)2	C(NCCH)(PO3)(H)2	N(CCHH)(CHHP)(CH3)(H)	P(CHHN)(OH)(O)2	116.0160	0.000	1	116.0160	0.000	1	115.0901	6.156	17	115.3166	5.932	19	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:O-1:	C(NCCH)(PO3)(H)2	N(CCHH)(CHHP)2(H)	P(CHHN)(OH)(O)2	C(NCCH)(PO3)(H)2	N(CCHH)(CHHP)2(H)	P(CHHN)(OH)(O)2	114.5590	1.393	4	114.5590	1.941	4	115.0901	6.156	17	115.3166	5.932	19	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:O-1:	C(NCCH)(PO3)(H)2	N(CCHH)2(CHHP)(H)	P(CHHN)(OH)(O)2	C(NCCH)(PO3)(H)2	N(CCHH)2(CHHP)(H)	P(CHHN)(OH)(O)2	112.6980	0.000	1	112.6980	0.000	1	115.0901	6.156	17	115.3166	5.932	19	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:O-1:	C(NCCH)(PO3)(H)2	N(CHHP)2(CH3)(H)	P(CHHN)(OH)(O)2	C(NCCH)(PO3)(H)2	N(CHHP)2(CH3)(H)	P(CHHN)(OH)(O)2	113.3940	0.000	1	113.3940	0.000	1	115.0901	6.156	17	115.3166	5.932	19	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:O-1:	C(NCCH)(PO3)(H)2	N(CHHP)3(H)	P(CHHN)(OH)(O)2	C(NCCH)(PO3)(H)2	N(CHHP)3(H)	P(CHHN)(OH)(O)2	115.5729	3.144	9	115.5729	9.888	9	115.0901	6.156	17	115.3166	5.932	19	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:2:2:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-2:O-1:	C(NCCH)(PO3)(H)2	N(CCCH)(CHHP)2(H)	P(CHHN)(OH)2(O)	C(NCCH)(PO3)(H)2	N(CCCH)(CHHP)2(H)	P(CHHN)(OH)2(O)	116.8900	0.000	1	116.8900	0.000	1	112.6605	18.543	6	112.6605	18.543	6	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:2:2:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-2:O-1:	C(NCCH)(PO3)(H)2	N(CCHH)2(CHHP)(H)	P(CHHN)(OC)2(O)	C(NCCH)(PO3)(H)2	N(CCHH)2(CHHP)(H)	P(CHHN)(OC)2(O)	107.2750	0.303	2	107.2750	0.092	2	112.6605	18.543	6	112.6605	18.543	6	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:2:2:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-2:O-1:	C(NCCH)(PO3)(H)2	N(CCHH)2(CHHP)(H)	P(CHHN)(OH)2(O)	C(NCCH)(PO3)(H)2	N(CCHH)2(CHHP)(H)	P(CHHN)(OH)2(O)	114.2045	0.187	2	114.2045	0.035	2	112.6605	18.543	6	112.6605	18.543	6	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:2:2:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-2:O-1:	C(NCCH)(PO3)(H)2	N(CHHP)2(CH3)(H)	P(CHHN)(OH)2(O)	C(NCCH)(PO3)(H)2	N(CHHP)2(CH3)(H)	P(CHHN)(OH)2(O)	116.1140	0.000	1	116.1140	0.000	1	112.6605	18.543	6	112.6605	18.543	6	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	4:4:4:1:	4:4:1:1:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-1:O-1:	C(NCCH)(PCOO)(H)2	N(CC[6a]HH)2(CHHP)(H)	P(CN[5]HH)(CHHN)(O)2	C(NCCH)(PCOO)(H)2	N(CC[6a]HH)2(CHHP)(H)	P(CN[5]HH)(CHHN)(O)2	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:1:1:	5:4:3:1:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-5:C-4:C-3:H-1:	C-4:O-2:O-1:O-1:	C(NCCH)(PO3)(H)2	N(CH3P)(CHHP)(CHP)(H)	P(CHHN)(OH)(O)2	C(NCCH)(PO3)(H)2	N(CH3P)(CHHP)(CHP)(H)	P(CHHN)(OH)(O)2	111.6800	0.000	1	111.6800	0.000	1	111.6800	0.000	1	111.6800	0.000	1	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:1:	4:1:1:1:	4:2:1:1:	C-4:N-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CCHH)(NH3)(PO3)(H)	N(CCHP)(H)3	P(CCHN)(OH)(O)2	C(CCHH)(NH3)(PO3)(H)	N(CCHP)(H)3	P(CCHN)(OH)(O)2	109.3010	0.293	2	109.3010	0.086	2	109.5900	0.293	3	109.5900	0.293	3	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:1:	4:1:1:1:	4:2:1:1:	C-4:N-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CH3)(NH3)(PO3)(H)	N(CCHP)(H)3	P(CCHN)(OH)(O)2	C(CH3)(NH3)(PO3)(H)	N(CCHP)(H)3	P(CCHN)(OH)(O)2	110.1680	0.000	1	110.1680	0.000	1	109.5900	0.293	3	109.5900	0.293	3	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:N-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CCHH)(NCHH)(PO3)(H)	N(CCHH)(CCHP)(H)2	P(CCHN)(OH)(O)2	C(CCHH)(NCHH)(PO3)(H)	N(CCHH)(CCHP)(H)2	P(CCHN)(OH)(O)2	109.2420	0.000	1	109.2420	0.000	1	109.2420	0.000	1	110.3404	4.975	7	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:1:	4:4:1:1:	4:2:1:1:	N-4:P-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(NCHH)(PO3)2(H)	N(CCCH)(CHPP)(H)2	P(CHNP)(OH)(O)2	C(NCHH)(PO3)2(H)	N(CCCH)(CHPP)(H)2	P(CHNP)(OH)(O)2	110.9813	3.280	3	110.9813	10.758	3	110.5235	5.689	6	110.3404	4.975	7	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:1:	4:4:1:1:	4:2:1:1:	N-4:P-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(NCHH)(PO3)2(H)	N(CCHH)(CHPP)(H)2	P(CHNP)(OH)(O)2	C(NCHH)(PO3)2(H)	N(CCHH)(CHPP)(H)2	P(CHNP)(OH)(O)2	110.0657	1.684	3	110.0657	2.835	3	110.5235	5.689	6	110.3404	4.975	7	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:1:	4:4:1:1:	4:2:2:1:	N-4:P-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(NCHH)(PO3)2(H)	N(CCCH)(CHPP)(H)2	P(CHNP)(OH)2(O)	C(NCHH)(PO3)2(H)	N(CCCH)(CHPP)(H)2	P(CHNP)(OH)2(O)	108.8480	0.000	1	108.8480	0.000	1	110.7765	1.783	4	110.7765	1.783	4	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:1:	4:4:1:1:	4:2:2:1:	N-4:P-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(NCHH)(PO3)2(H)	N(CCHH)(CHPP)(H)2	P(CHNP)(OH)2(O)	C(NCHH)(PO3)2(H)	N(CCHH)(CHPP)(H)2	P(CHNP)(OH)2(O)	111.4193	0.441	3	111.4193	0.195	3	110.7765	1.783	4	110.7765	1.783	4	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:N-4:P-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:O-1:O-1:	C(CC[6a]HH)(NCCH)(PHOO)(H)	N(CC[6a]HH)2(CCHP)(H)	P(CCHN)(H)(O)2	C(CC[6a]HH)(NCCH)(PHOO)(H)	N(CC[6a]HH)2(CCHP)(H)	P(CCHN)(H)(O)2	108.7360	0.000	1	108.7360	0.000	1	108.7360	0.000	1	108.7360	0.000	1	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CH3)(NH3)(PO3)2	N(CCPP)(H)3	P(CCNP)(O)3	C(CH3)(NH3)(PO3)2	N(CCPP)(H)3	P(CCNP)(O)3	107.1172	0.781	6	107.1172	0.609	6	107.1172	0.609	6	107.1172	0.609	6	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:4:	4:1:1:1:	4:2:1:1:	C-4:N-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CCHH)(NH3)(PO3)2	N(CCPP)(H)3	P(CCNP)(OH)(O)2	C(CCHH)(NH3)(PO3)2	N(CCPP)(H)3	P(CCNP)(OH)(O)2	106.3575	1.292	10	106.3575	1.669	10	107.1833	1.206	41	107.1941	1.163	43	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:4:	4:1:1:1:	4:2:1:1:	C-4:N-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CH3)(NH3)(PO3)2	N(CCPP)(H)3	P(CCNP)(OH)(O)2	C(CH3)(NH3)(PO3)2	N(CCPP)(H)3	P(CCNP)(OH)(O)2	107.4497	0.898	31	107.4497	0.807	31	107.1833	1.206	41	107.1941	1.163	43	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:4:	4:1:1:1:	4:2:1:1:	C[3]-4:N-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(C[3]C[3]2H)(NH3)(PO3)2	N(CC[3]PP)(H)3	P(CC[3]NP)(OH)(O)2	C(C[3]C[3]2H)(NH3)(PO3)2	N(CC[3]PP)(H)3	P(CC[3]NP)(OH)(O)2	107.4155	0.708	2	107.4155	0.501	2	107.4155	0.501	2	107.1941	1.163	43	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:4:	4:1:1:1:	4:2:2:1:	C-4:C-4:N-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)2(NH3)(PO3)	N(CCCP)(H)3	P(CCCN)(OFe)2(O)	C(CH3)2(NH3)(PO3)	N(CCCP)(H)3	P(CCCN)(OFe)2(O)	107.1933	1.221	12	107.1933	1.491	12	107.1933	1.491	12	107.1912	1.155	17	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:4:	4:1:1:1:	4:2:2:1:	C-4:N-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(NH3)(PO3)2	N(CCPP)(H)3	P(CCNP)(OH)2(O)	C(CCHH)(NH3)(PO3)2	N(CCPP)(H)3	P(CCNP)(OH)2(O)	107.2515	1.375	2	107.2515	1.892	2	107.1860	0.518	5	107.1912	1.155	17	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:4:	4:1:1:1:	4:2:2:1:	C-4:N-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)(NH3)(PO3)2	N(CCPP)(H)3	P(CCNP)(OCu)(OH)(O)	C(CH3)(NH3)(PO3)2	N(CCPP)(H)3	P(CCNP)(OCu)(OH)(O)	107.1160	0.402	2	107.1160	0.161	2	107.1860	0.518	5	107.1912	1.155	17	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:4:	4:1:1:1:	4:2:2:1:	C-4:N-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)(NH3)(PO3)2	N(CCPP)(H)3	P(CCNP)(OH)2(O)	C(CH3)(NH3)(PO3)2	N(CCPP)(H)3	P(CCNP)(OH)2(O)	107.1950	0.000	1	107.1950	0.000	1	107.1860	0.518	5	107.1912	1.155	17	110.9112	13.520	175	110.9112	13.520	175
490	892	992	0:SP3_SP3_SP3	C	N	P	4:4:4:4:	4:4:1:1:	4:2:1:1:	N-4:C-4:C-4:P-4:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(NCHH)(CH3)2(PO3)	N(CC[6a]CH)(CCCP)(H)2	P(CCCN)(OC)(O)2	C(NCHH)(CH3)2(PO3)	N(CC[6a]CH)(CCCP)(H)2	P(CCCN)(OC)(O)2	107.8510	0.000	1	107.8510	0.000	1	107.8510	0.000	1	107.8510	0.000	1	110.9112	13.520	175	110.9112	13.520	175
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:1:1:	3:4:	3:4:	O-2:O-2:Cl-1:Cl-1:	C[6a]-3:C-4:	C[6a]-3:C-4:	C(OC[6a])2(Cl)2	O(C[6a]C[6a]2)(CCl2O)	O(C[6a]C[6a]2)(CCl2O)	C(OC[6a])2(Cl)2	O(C[6a]C[6a]2)(CCl2O)	O(C[6a]C[6a]2)(CCl2O)	103.7630	0.000	1	103.7630	0.000	1	103.7630	0.000	1	111.7343	6.394	62	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:1:1:	3:4:	3:4:	O-2:O-2:H-1:H-1:	B-3:C-4:	B-3:C-4:	C(OB)2(H)2	O(BC[6a]2)(CHHO)	O(BC[6a]2)(CHHO)	C(OB)2(H)2	O(BC[6a]2)(CHHO)	O(BC[6a]2)(CHHO)	104.9370	0.000	1	104.9370	0.000	1	104.9370	0.000	1	111.7343	6.394	62	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:1:1:	3:4:	3:4:	O-2:O-2:H-1:H-1:	C-3:C-4:	C-3:C-4:	C(OC)2(H)2	O(CC[6a]O)(CHHO)	O(CC[6a]O)(CHHO)	C(OC)2(H)2	O(CC[6a]O)(CHHO)	O(CC[6a]O)(CHHO)	110.3727	0.320	3	110.3727	0.102	3	110.3727	0.102	3	111.7343	6.394	62	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:1:1:	3:4:	3:4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:	C(OC[6a])2(H)2	O(C[6a]C[6,6a]C[6a])(CHHO)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	O(C[6a]C[6,6a]C[6a])(CHHO)	O(C[6a]C[6a]2)(CHHO)	111.6500	0.501	2	111.6500	0.251	2	112.0651	4.791	57	111.7343	6.394	62	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:1:1:	3:4:	3:4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:	C(OC[6a])2(H)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	O(C[6a]C[6a,6a]C[6a])(CHHO)	C(OC[6a])2(H)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	O(C[6a]C[6a,6a]C[6a])(CHHO)	112.2930	0.000	1	112.2930	0.000	1	112.0651	4.791	57	111.7343	6.394	62	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:1:1:	3:4:	3:4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:	C(OC[6a])2(H)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	O(C[6a]C[6a]2)(CHHO)	111.7405	0.008	2	111.7405	0.000	2	112.0651	4.791	57	111.7343	6.394	62	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:1:1:	3:4:	3:4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:	C(OC[6a])2(H)2	O(C[6a]C[6a]2)(CHHO)	O(C[6a]C[6a]2)(CHHO)	C(OC[6a])2(H)2	O(C[6a]C[6a]2)(CHHO)	O(C[6a]C[6a]2)(CHHO)	112.0892	2.290	52	112.0892	5.243	52	112.0651	4.791	57	111.7343	6.394	62	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:1:1:	3:4:	4:3:	O-2:O-2:H-1:H-1:	C-3:C-4:	C-4:C-3:	C(OC)2(H)2	O(CC[5]O)(CHHO)	O(CHHO)(CCO)	C(OC)2(H)2	O(CC[5]O)(CHHO)	O(CHHO)(CCO)	108.0040	0.000	1	108.0040	0.000	1	107.7373	0.054	3	107.7373	0.054	3	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:1:1:	3:4:	4:3:	O-2:O-2:H-1:H-1:	C-3:C-4:	C-4:C-3:	C(OC)2(H)2	O(CC[6a]O)(CHHO)	O(CHHO)(CCO)	C(OC)2(H)2	O(CC[6a]O)(CHHO)	O(CHHO)(CCO)	107.6040	0.018	2	107.6040	0.000	2	107.7373	0.054	3	107.7373	0.054	3	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:1:1:	4:1:	4:1:	O-2:O-2:O-1:O-1:	C-4:O-1:	C-4:O-1:	C(OO)2(O)2	O(CO3)(O)	O(CO3)(O)	C(OO)2(O)2	O(CO3)(O)	O(CO3)(O)	162.7760	0.000	1	162.7760	0.000	1	162.7760	0.000	1	162.7760	0.000	1	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:1:1:	4:2:	4:2:	O-2:O-2:H-1:H-1:	C-4:N-2:	C-4:N-2:	C(ON)2(H)2	O(CHHO)(NC)	O(CHHO)(NC)	C(ON)2(H)2	O(CHHO)(NC)	O(CHHO)(NC)	112.2690	0.000	1	112.2690	0.000	1	112.2690	0.000	1	112.2690	0.000	1	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:1:1:	4:3:	4:3:	O-2:O-2:H-1:H-1:	C-4:C-3:	C-4:C-3:	C(OC)2(H)2	O(CHHO)(CCO)	O(CHHO)(CNO)	C(OC)2(H)2	O(CHHO)(CCO)	O(CHHO)(CNO)	108.4623	0.465	3	108.4623	0.216	3	108.4623	0.216	3	108.4623	0.216	3	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:3:1:	3:4:	3:4:	O-2:O-2:C-3:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:	C(OC[6a])2(COO)(H)	O(C[6a]C[6a]2)(CCHO)	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])2(COO)(H)	O(C[6a]C[6a]2)(CCHO)	O(C[6a]C[6a]2)(CCHO)	111.2450	2.316	3	111.2450	5.365	3	111.2450	5.365	3	111.2450	5.365	3	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:4:1:	3:4:	3:4:	O-2:O-2:C-4:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:	C(OC[6a])2(CCHH)(H)	O(C[6a]C[6a]2)(CCHO)	O(C[6a]C[6a]2)(CCHO)	C(OC[6a])2(CCHH)(H)	O(C[6a]C[6a]2)(CCHO)	O(C[6a]C[6a]2)(CCHO)	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:4:4:	3:4:	3:4:	O-2:O-2:C-4:C-4:	C[6a]-3:C-4:	C[6a]-3:C-4:	C(OC[6a])2(CCHH)(CH3)	O(C[6a]C[6a]2)(CCCO)	O(C[6a]C[6a]2)(CCCO)	C(OC[6a])2(CCHH)(CH3)	O(C[6a]C[6a]2)(CCCO)	O(C[6a]C[6a]2)(CCCO)	110.0580	0.000	1	110.0580	0.000	1	110.2293	0.146	4	110.2293	0.146	4	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:2:4:4:	3:4:	3:4:	O-2:O-2:C-4:C-4:	C[6a]-3:C-4:	C[6a]-3:C-4:	C(OC[6a])2(CH3)2	O(C[6a]C[6a]2)(CCCO)	O(C[6a]C[6a]2)(CCCO)	C(OC[6a])2(CH3)2	O(C[6a]C[6a]2)(CCCO)	O(C[6a]C[6a]2)(CCCO)	110.2863	0.447	3	110.2863	0.200	3	110.2293	0.146	4	110.2293	0.146	4	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	2:4:2:1:	3:4:	4:3:	O-2:C-4:O-2:H-1:	C[6a]-3:C-4:	C-4:C-3:	C(OC[6a])(CH3)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	O(CCHO)(COO)	C(OC[6a])(CH3)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	O(CCHO)(COO)	107.1570	0.430	2	107.1570	0.185	2	107.1570	0.185	2	107.1570	0.185	2	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	3:2:2:1:	3:4:	3:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(OC[6a])2(H)	O(C[6a]C[6a]2)(CC[6a]HO)	O(C[6a]C[6a]2)(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])2(H)	O(C[6a]C[6a]2)(CC[6a]HO)	O(C[6a]C[6a]2)(CC[6a]HO)	109.8960	0.000	1	109.8960	0.000	1	109.4107	2.521	3	109.4107	2.521	3	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	3:2:2:1:	3:4:	3:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]N[6a])(OC[6a])2(H)	O(C[6a]C[6a]2)(CC[6a]HO)	O(C[6a]C[6a]2)(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6a])2(H)	O(C[6a]C[6a]2)(CC[6a]HO)	O(C[6a]C[6a]2)(CC[6a]HO)	109.1680	2.165	2	109.1680	4.688	2	109.4107	2.521	3	109.4107	2.521	3	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	3:2:2:1:	4:3:	4:3:	C[6a]-3:O-2:O-2:H-1:	C-4:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CCO)	O(CC[6a]HO)(CCO)	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CCO)	O(CC[6a]HO)(CCO)	106.6170	1.224	4	106.6170	1.497	4	106.6170	1.497	4	106.6170	1.497	4	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	3:4:2:2:	4:3:	4:3:	C[6a]-3:C-4:O-2:O-2:	C-4:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(CHHN)(OC)2	O(CC[6a]CO)(CC[6a]C)	O(CC[6a]CO)(CC[6a]C)	C(C[6a]C[6a]2)(CHHN)(OC)2	O(CC[6a]CO)(CC[6a]C)	O(CC[6a]CO)(CC[6a]C)	108.8380	0.000	1	108.8380	0.000	1	108.8380	0.000	1	108.8380	0.000	1	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	4:2:2:1:	3:4:	3:4:	C-4:O-2:O-2:H-1:	C-3:C-4:	C-3:C-4:	C(CHHO)(OC)2(H)	O(CC[6a]O)(CCHO)	O(CC[6a]O)(CCHO)	C(CHHO)(OC)2(H)	O(CC[6a]O)(CCHO)	O(CC[6a]O)(CCHO)	106.9650	0.000	1	106.9650	0.000	1	106.9650	0.000	1	106.9650	0.000	1	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	4:2:2:1:	3:4:	4:3:	C-4:O-2:O-2:H-1:	C-3:C-4:	C-4:C-3:	C(CH3)(OC)2(H)	O(CC[6a]O)(CCHO)	O(CCHO)(COO)	C(CH3)(OC)2(H)	O(CC[6a]O)(CCHO)	O(CCHO)(COO)	102.6280	0.000	1	102.6280	0.000	1	102.6280	0.000	1	104.0115	3.828	2	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP2	C	O	O	4:2:2:1:	3:4:	4:3:	C-4:O-2:O-2:H-1:	C[6]-3:C-4:	C-4:C-3:	C(CC[5]HH)(OC[6])(OC)(H)	O(C[6]C[6,6]C[6])(CCHO)	O(CCHO)(CCO)	C(CC[5]HH)(OC[6])(OC)(H)	O(C[6]C[6,6]C[6])(CCHO)	O(CCHO)(CCO)	105.3950	0.000	1	105.3950	0.000	1	105.3950	0.000	1	104.0115	3.828	2	111.3000	37.902	91	111.3000	37.902	91
490	893	893	0:SP3_SP2_SP3	C	O	O	2:2:1:1:	3:4:	4:4:	O-2:O-2:H-1:H-1:	C-3:C-4:	C-4:C-4:	C(OC)2(H)2	O(CC[6a]O)(CHHO)	O(CCHH)(CHHO)	C(OC)2(H)2	O(CC[6a]O)(CHHO)	O(CCHH)(CHHO)	106.9920	0.000	1	106.9920	0.000	1	106.9920	0.000	1	111.9600	6.306	111	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	2:2:1:1:	3:4:	4:4:	O-2:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6,6]C[6])(CHHO)	O(CHHO)(CH3)	C(OC[6])(OC)(H)2	O(C[6]C[6,6]C[6])(CHHO)	O(CHHO)(CH3)	112.8300	0.000	1	112.8300	0.000	1	112.7855	0.004	2	111.9600	6.306	111	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	2:2:1:1:	3:4:	4:4:	O-2:O-2:H-1:H-1:	C[6]-3:C-4:	C-4:C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6]2)(CHHO)	O(CHHO)(CH3)	C(OC[6])(OC)(H)2	O(C[6]C[6]2)(CHHO)	O(CHHO)(CH3)	112.7410	0.000	1	112.7410	0.000	1	112.7855	0.004	2	111.9600	6.306	111	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	2:2:1:1:	3:4:	4:4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:	C(OC[6a])(OC)(H)2	O(C[6a]C[5,6a]C[6a])(CHHO)	O(CHHO)(CH3)	C(OC[6a])(OC)(H)2	O(C[6a]C[5,6a]C[6a])(CHHO)	O(CHHO)(CH3)	112.9330	1.708	2	112.9330	2.919	2	111.9907	6.239	108	111.9600	6.306	111	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	2:2:1:1:	3:4:	4:4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:	C(OC[6a])(OC)(H)2	O(C[6a]C[6,6,6a]C[6a])(CHHO)	O(CHHO)(CH3)	C(OC[6a])(OC)(H)2	O(C[6a]C[6,6,6a]C[6a])(CHHO)	O(CHHO)(CH3)	112.7425	0.367	2	112.7425	0.135	2	111.9907	6.239	108	111.9600	6.306	111	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	2:2:1:1:	3:4:	4:4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:	C(OC[6a])(OC)(H)2	O(C[6a]C[6,6a]C[6a])(CHHO)	O(CHHO)(CH3)	C(OC[6a])(OC)(H)2	O(C[6a]C[6,6a]C[6a])(CHHO)	O(CHHO)(CH3)	112.6910	0.980	8	112.6910	0.960	8	111.9907	6.239	108	111.9600	6.306	111	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	2:2:1:1:	3:4:	4:4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:	C(OC[6a])(OC)(H)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	O(CCHH)(CHHO)	C(OC[6a])(OC)(H)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	O(CCHH)(CHHO)	112.4650	0.238	2	112.4650	0.056	2	111.9907	6.239	108	111.9600	6.306	111	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	2:2:1:1:	3:4:	4:4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:	C(OC[6a])(OC)(H)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	O(CHHO)(CH3)	C(OC[6a])(OC)(H)2	O(C[6a]C[6a,6a]C[6a])(CHHO)	O(CHHO)(CH3)	113.8648	3.275	6	113.8648	10.724	6	111.9907	6.239	108	111.9600	6.306	111	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	2:2:1:1:	3:4:	4:4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:	C(OC[6a])(OC)(H)2	O(C[6a]C[6a]2)(CHHO)	O(CCHH)(CHHO)	C(OC[6a])(OC)(H)2	O(C[6a]C[6a]2)(CHHO)	O(CCHH)(CHHO)	112.6260	0.000	1	112.6260	0.000	1	111.9907	6.239	108	111.9600	6.306	111	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	2:2:1:1:	3:4:	4:4:	O-2:O-2:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:	C(OC[6a])(OC)(H)2	O(C[6a]C[6a]2)(CHHO)	O(CHHO)(CH3)	C(OC[6a])(OC)(H)2	O(C[6a]C[6a]2)(CHHO)	O(CHHO)(CH3)	111.7400	2.574	87	111.7400	6.626	87	111.9907	6.239	108	111.9600	6.306	111	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	2:2:1:1:	4:4:	4:3:	O-2:O-2:H-1:H-1:	C-4:P-4:	C-4:C-3:	C(OC)(OP)(H)2	O(CHHO)(PCOO)	O(CHHO)(CCO)	C(OC)(OP)(H)2	O(CHHO)(PCOO)	O(CHHO)(CCO)	109.0127	0.943	4	109.0127	0.890	4	109.0127	0.890	4	109.0127	0.890	4	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	2:3:2:1:	3:4:	4:4:	O-2:C-3:O-2:H-1:	C[6a]-3:C-4:	C-4:C-4:	C(OC[6a])(CCO)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	O(CCHO)(CH3)	C(OC[6a])(CCO)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	O(CCHO)(CH3)	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	2:4:2:1:	3:4:	4:4:	O-2:C-4:O-2:H-1:	C[6a]-3:C-4:	C-4:C-4:	C(OC[6a])(CCCH)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	O(CCHH)(CCHO)	C(OC[6a])(CCCH)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	O(CCHH)(CCHO)	112.3780	0.000	1	112.3780	0.000	1	112.2075	0.058	2	112.2075	0.058	2	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	2:4:2:1:	3:4:	4:4:	O-2:C-4:O-2:H-1:	C[6a]-3:C-4:	C-4:C-4:	C(OC[6a])(CCHH)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	O(CC[6a]CC)(CCHO)	C(OC[6a])(CCHH)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	O(CC[6a]CC)(CCHO)	112.0370	0.000	1	112.0370	0.000	1	112.2075	0.058	2	112.2075	0.058	2	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	3:2:2:1:	3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	O(C[6a]C[6a]2)(CC[6a]HO)	O(CC[6a]HO)(CC3)	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	O(C[6a]C[6a]2)(CC[6a]HO)	O(CC[6a]HO)(CC3)	111.7865	0.589	2	111.7865	0.347	2	111.9030	0.214	3	111.9030	0.214	3	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	3:2:2:1:	3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	O(C[6a]C[6a]2)(CC[6a]HO)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	O(C[6a]C[6a]2)(CC[6a]HO)	O(CC[6a]HO)(CH3)	112.1360	0.000	1	112.1360	0.000	1	111.9030	0.214	3	111.9030	0.214	3	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	3:2:2:1:	4:4:	4:3:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]CC)(CC[6a]HO)	O(CC[6a]HO)(CCC)	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]CC)(CC[6a]HO)	O(CC[6a]HO)(CCC)	112.0500	0.000	1	112.0500	0.000	1	127.6572	79.151	5	127.6572	79.151	5	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	3:2:2:1:	4:4:	4:3:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CCHH)	O(CC[6a]HO)(CCH)	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CCHH)	O(CC[6a]HO)(CCH)	131.5590	2.010	4	131.5590	4.041	4	127.6572	79.151	5	127.6572	79.151	5	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	3:2:4:2:	3:4:	4:4:	C[6a]-3:O-2:C-4:O-2:	C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	O(C[6a]C[6a]2)(CC[6a]CO)	O(CC[6a]CO)(CCCH)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	O(C[6a]C[6a]2)(CC[6a]CO)	O(CC[6a]CO)(CCCH)	102.1660	0.317	2	102.1660	0.100	2	102.1660	0.100	2	102.1660	0.100	2	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	3:4:2:2:	4:3:	4:4:	C[6a]-3:C-4:O-2:O-2:	C-4:C-3:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OC)2	O(CC[6a]CO)(CC[6a]C)	O(CC[6a]CO)(CH3)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)2	O(CC[6a]CO)(CC[6a]C)	O(CC[6a]CO)(CH3)	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP2_SP3	C	O	O	4:2:4:2:	3:4:	4:4:	C-4:O-2:C-4:O-2:	C[6a]-3:C-4:	C-4:C-4:	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	O(C[6a]C[6a]2)(CCCO)	O(CCCH)(CCCO)	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	O(C[6a]C[6a]2)(CCCO)	O(CCCH)(CCCO)	104.6950	0.000	1	104.6950	0.000	1	104.6950	0.000	1	104.6950	0.000	1	112.2678	19.483	130	112.2678	19.483	130
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	3:4:	3:4:	O-2:O-2:H-1:H-1:	N[5a]-3:C-4:	N[5a]-3:C-4:	C(ON[5a])2(H)2	O(N[5a]C[5a,6a]N[5a])(CHHO)	O(N[5a]C[5a,6a]N[5a])(CHHO)	C(ON[5a])2(H)2	O(N[5a]C[5a,6a]N[5a])(CHHO)	O(N[5a]C[5a,6a]N[5a])(CHHO)	112.0020	0.000	1	112.0020	0.000	1	112.0020	0.000	1	112.0020	0.000	1	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:3:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:N-3:	C(OC)(ON)(H)2	O(CHHO)(CH3)	O(CHHO)(NCS)	C(OC)(ON)(H)2	O(CHHO)(CH3)	O(CHHO)(NCS)	112.4710	0.000	1	112.4710	0.000	1	112.4710	0.000	1	112.4710	0.000	1	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CCCH)(CHHO)	O(CCCH)(CHHO)	C(OC)2(H)2	O(CCCH)(CHHO)	O(CCCH)(CHHO)	112.6457	0.267	4	112.6457	0.071	4	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CCCH)(CHHO)	O(CHHO)(CH3)	C(OC)2(H)2	O(CCCH)(CHHO)	O(CHHO)(CH3)	114.0945	0.341	4	114.0945	0.116	4	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CCHH)(CHHO)	O(CCHH)(CHHO)	C(OC)2(H)2	O(CCHH)(CHHO)	O(CCHH)(CHHO)	113.5815	0.986	2	113.5815	0.973	2	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CCHH)(CHHO)	O(CHHO)(CH3)	C(OC)2(H)2	O(CCHH)(CHHO)	O(CHHO)(CH3)	113.6614	0.737	5	113.6614	0.544	5	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CC[3]HH)(CHHO)	O(CC[3]HH)(CHHO)	C(OC)2(H)2	O(CC[3]HH)(CHHO)	O(CC[3]HH)(CHHO)	112.6260	0.000	1	112.6260	0.000	1	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CC[4]HH)(CHHO)	O(CC[5]HH)(CHHO)	C(OC)2(H)2	O(CC[4]HH)(CHHO)	O(CC[5]HH)(CHHO)	114.2290	0.000	1	114.2290	0.000	1	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CC[5,6]C[6a]H)(CHHO)	O(CHHO)(CH3)	C(OC)2(H)2	O(CC[5,6]C[6a]H)(CHHO)	O(CHHO)(CH3)	112.9868	0.485	4	112.9868	0.235	4	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CC[5,6]HH)(CHHO)	O(CHHO)(CH3)	C(OC)2(H)2	O(CC[5,6]HH)(CHHO)	O(CHHO)(CH3)	113.5265	0.220	2	113.5265	0.048	2	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CC[5]CH)(CHHO)	O(CHHO)(CH3)	C(OC)2(H)2	O(CC[5]CH)(CHHO)	O(CHHO)(CH3)	113.0169	1.711	8	113.0169	2.926	8	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CC[5]HH)(CHHO)	O(CHHO)(CH3)	C(OC)2(H)2	O(CC[5]HH)(CHHO)	O(CHHO)(CH3)	112.8506	0.519	5	112.8506	0.270	5	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CC[5a]CH)(CHHO)	O(CHHO)(CH3)	C(OC)2(H)2	O(CC[5a]CH)(CHHO)	O(CHHO)(CH3)	113.1860	0.042	2	113.1860	0.002	2	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CC[6]CH)(CHHO)	O(CHHO)(CH3)	C(OC)2(H)2	O(CC[6]CH)(CHHO)	O(CHHO)(CH3)	112.9865	0.078	2	112.9865	0.006	2	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CC[6]HH)(CHHO)	O(CHHO)(CH3)	C(OC)2(H)2	O(CC[6]HH)(CHHO)	O(CHHO)(CH3)	114.4110	0.000	1	114.4110	0.000	1	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CC[6a]2C)(CHHO)	O(CHHO)(CH3)	C(OC)2(H)2	O(CC[6a]2C)(CHHO)	O(CHHO)(CH3)	112.9420	0.000	1	112.9420	0.000	1	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CC[6a]2H)(CHHO)	O(CHHO)(CH3)	C(OC)2(H)2	O(CC[6a]2H)(CHHO)	O(CHHO)(CH3)	112.9390	0.064	2	112.9390	0.004	2	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CC[6a]CH)(CHHO)	O(CHHO)(CH3)	C(OC)2(H)2	O(CC[6a]CH)(CHHO)	O(CHHO)(CH3)	112.7410	0.690	3	112.7410	0.476	3	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CC[6a]HH)(CHHO)	O(CCHH)(CHHO)	C(OC)2(H)2	O(CC[6a]HH)(CHHO)	O(CCHH)(CHHO)	112.8720	0.000	1	112.8720	0.000	1	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CC[6a]HH)(CHHO)	O(CHHO)2	C(OC)2(H)2	O(CC[6a]HH)(CHHO)	O(CHHO)2	112.8777	0.313	4	112.8777	0.098	4	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:	C(OC)2(H)2	O(CHHO)2	O(CHHO)2	C(OC)2(H)2	O(CHHO)2	O(CHHO)2	112.4817	0.224	9	112.4817	0.050	9	113.0687	0.711	61	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[4]-4:C-4:	C-4:C-4:	C(OC[4])(OC)(H)2	O(C[4]C[4]2H)(CHHO)	O(CHHO)(CH3)	C(OC[4])(OC)(H)2	O(C[4]C[4]2H)(CHHO)	O(CHHO)(CH3)	113.3213	0.289	3	113.3213	0.083	3	113.3213	0.083	3	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[5,6,6]-4:C-4:	C-4:C-4:	C(OC[5,6,6])(OC)(H)2	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHHO)	O(CC[6a]HH)(CHHO)	C(OC[5,6,6])(OC)(H)2	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHHO)	O(CC[6a]HH)(CHHO)	107.4140	0.000	1	107.4140	0.000	1	107.4140	0.000	1	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[5,6]-4:C-4:	C-4:C-4:	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	O(CHHO)(CH3)	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	O(CHHO)(CH3)	113.9597	0.352	3	113.9597	0.124	3	113.4140	1.010	7	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[5,6]-4:C-4:	C-4:C-4:	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6]2C[5])(CHHO)	O(CHHO)(CH3)	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6]2C[5])(CHHO)	O(CHHO)(CH3)	111.7110	0.000	1	111.7110	0.000	1	113.4140	1.010	7	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[5,6]-4:C-4:	C-4:C-4:	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6]2H)(CHHO)	O(CHHO)(CH3)	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6]2H)(CHHO)	O(CHHO)(CH3)	113.4360	1.004	3	113.4360	1.008	3	113.4140	1.010	7	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5,5,6]C[5]H)(CHHO)	O(CHHO)(CH3)	C(OC[5])(OC)(H)2	O(C[5]C[5,5,6]C[5]H)(CHHO)	O(CHHO)(CH3)	113.3760	0.000	1	113.3760	0.000	1	113.2797	0.264	10	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5,5]C[5]H)(CHHO)	O(CHHO)(CH3)	C(OC[5])(OC)(H)2	O(C[5]C[5,5]C[5]H)(CHHO)	O(CHHO)(CH3)	112.7100	0.033	2	112.7100	0.001	2	113.2797	0.264	10	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5,6,6]2H)(CHHO)	O(CHHO)(CH3)	C(OC[5])(OC)(H)2	O(C[5]C[5,6,6]2H)(CHHO)	O(CHHO)(CH3)	114.1680	0.000	1	114.1680	0.000	1	113.2797	0.264	10	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5,6,6]C[5]H)(CHHO)	O(CHHO)(CH3)	C(OC[5])(OC)(H)2	O(C[5]C[5,6,6]C[5]H)(CHHO)	O(CHHO)(CH3)	113.7020	0.000	1	113.7020	0.000	1	113.2797	0.264	10	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5,6]2H)(CHHO)	O(CHHO)(CH3)	C(OC[5])(OC)(H)2	O(C[5]C[5,6]2H)(CHHO)	O(CHHO)(CH3)	113.7220	0.000	1	113.7220	0.000	1	113.2797	0.264	10	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5,6]C[5]H)(CHHO)	O(CHHO)(CH3)	C(OC[5])(OC)(H)2	O(C[5]C[5,6]C[5]H)(CHHO)	O(CHHO)(CH3)	112.8115	0.145	2	112.8115	0.021	2	113.2797	0.264	10	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5]2C)(CHHO)	O(CHHO)(CH3)	C(OC[5])(OC)(H)2	O(C[5]C[5]2C)(CHHO)	O(CHHO)(CH3)	113.2100	0.000	1	113.2100	0.000	1	113.2797	0.264	10	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[5]-4:C-4:	C-4:C-4:	C(OC[5])(OC)(H)2	O(C[5]C[5]2H)(CHHO)	O(CHHO)(CH3)	C(OC[5])(OC)(H)2	O(C[5]C[5]2H)(CHHO)	O(CHHO)(CH3)	113.5760	0.000	1	113.5760	0.000	1	113.2797	0.264	10	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(OC)(H)2	O(C[6]C[3x6]C[6]H)(CHHO)	O(CHHO)(CH3)	C(OC[6])(OC)(H)2	O(C[6]C[3x6]C[6]H)(CHHO)	O(CHHO)(CH3)	112.1190	0.000	1	112.1190	0.000	1	113.3357	1.916	52	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(OC)(H)2	O(C[6]C[5,6,6]C[6]H)(CHHO)	O(CC[6a]HH)(CHHO)	C(OC[6])(OC)(H)2	O(C[6]C[5,6,6]C[6]H)(CHHO)	O(CC[6a]HH)(CHHO)	112.7480	0.000	1	112.7480	0.000	1	113.3357	1.916	52	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(OC)(H)2	O(C[6]C[5,6,6]C[6]H)(CHHO)	O(CHHO)(CH3)	C(OC[6])(OC)(H)2	O(C[6]C[5,6,6]C[6]H)(CHHO)	O(CHHO)(CH3)	113.0830	0.000	1	113.0830	0.000	1	113.3357	1.916	52	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(OC)(H)2	O(C[6]C[5,6]C[6]C)(CHHO)	O(CHHO)(CH3)	C(OC[6])(OC)(H)2	O(C[6]C[5,6]C[6]C)(CHHO)	O(CHHO)(CH3)	114.4080	0.000	1	114.4080	0.000	1	113.3357	1.916	52	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(OC)(H)2	O(C[6]C[5,6]C[6]H)(CHHO)	O(CHHO)(CH3)	C(OC[6])(OC)(H)2	O(C[6]C[5,6]C[6]H)(CHHO)	O(CHHO)(CH3)	113.3400	0.920	5	113.3400	0.846	5	113.3357	1.916	52	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6,6]C[6]H)(CHHO)	O(CC[6,6]HH)(CHHO)	C(OC[6])(OC)(H)2	O(C[6]C[6,6]C[6]H)(CHHO)	O(CC[6,6]HH)(CHHO)	112.9500	0.000	1	112.9500	0.000	1	113.3357	1.916	52	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6,6]C[6]H)(CHHO)	O(CHHO)(CH3)	C(OC[6])(OC)(H)2	O(C[6]C[6,6]C[6]H)(CHHO)	O(CHHO)(CH3)	114.8880	1.523	2	114.8880	2.320	2	113.3357	1.916	52	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6,6a]C[3,6]C[6])(CHHO)	O(CHHO)(CH3)	C(OC[6])(OC)(H)2	O(C[6]C[6,6a]C[3,6]C[6])(CHHO)	O(CHHO)(CH3)	112.6135	0.463	2	112.6135	0.215	2	113.3357	1.916	52	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6]2C)(CHHO)	O(CHHO)(CH3)	C(OC[6])(OC)(H)2	O(C[6]C[6]2C)(CHHO)	O(CHHO)(CH3)	113.6885	0.060	4	113.6885	0.004	4	113.3357	1.916	52	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6]2Cr)(CHHO)	O(CHHO)(CH3)	C(OC[6])(OC)(H)2	O(C[6]C[6]2Cr)(CHHO)	O(CHHO)(CH3)	112.8055	1.182	2	112.8055	1.396	2	113.3357	1.916	52	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6]2H)(CHHO)	O(CHHO)(CH3)	C(OC[6])(OC)(H)2	O(C[6]C[6]2H)(CHHO)	O(CHHO)(CH3)	113.0369	1.274	24	113.0369	1.624	24	113.3357	1.916	52	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6]2Ru)(CHHO)	O(CHHO)(CH3)	C(OC[6])(OC)(H)2	O(C[6]C[6]2Ru)(CHHO)	O(CHHO)(CH3)	112.3540	0.455	2	112.3540	0.207	2	113.3357	1.916	52	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(OC)(H)2	O(C[6]C[6a]C[6]2)(CHHO)	O(CHHO)(CH3)	C(OC[6])(OC)(H)2	O(C[6]C[6a]C[6]2)(CHHO)	O(CHHO)(CH3)	114.7478	2.310	6	114.7478	5.338	6	113.3357	1.916	52	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:1:1:	4:4:	4:4:	O-2:O-2:H-1:H-1:	Si-4:C-4:	Si-4:C-4:	C(OSi)2(H)2	O(SiC[6a]3)(CHHO)	O(SiC[6a]3)(CHHO)	C(OSi)2(H)2	O(SiC[6a]3)(CHHO)	O(SiC[6a]3)(CHHO)	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	113.1401	1.496	135	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:2:1:	4:4:	4:4:	C-2:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CC)(OC)2(H)	O(CCHH)(CCHO)	O(CCHH)(CCHO)	C(CC)(OC)2(H)	O(CCHH)(CCHO)	O(CCHH)(CCHO)	111.1997	3.135	3	111.1997	9.829	3	111.1997	9.829	3	108.9097	5.452	9	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:2:2:1:	4:4:	4:4:	O-2:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(OC)3(H)	O(CCHH)(CHOO)	O(CCHH)(CHOO)	C(OC)3(H)	O(CCHH)(CHOO)	O(CCHH)(CHOO)	107.7647	0.268	6	107.7647	0.072	6	107.7647	0.072	6	108.9097	5.452	9	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:4:2:1:	3:4:	4:1:	O-2:C-4:O-2:H-1:	N[6]-3:C-4:	C-4:H-1:	C(ON[6])(CCl3)(OH)(H)	O(N[6]C[6]2)(CCHO)	O(CCHO)(H)	C(ON[6])(CCl3)(OH)(H)	O(N[6]C[6]2)(CCHO)	O(CCHO)(H)	110.4715	0.177	2	110.4715	0.032	2	110.4715	0.032	2	110.4715	0.032	2	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:4:2:1:	4:4:	4:4:	O-2:C-4:O-2:H-1:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(CCCO)(OC)(H)	O(C[6]C[6]O[6]H)(CCHO)	O(CCHO)(CH3)	C(OC[6])(CCCO)(OC)(H)	O(C[6]C[6]O[6]H)(CCHO)	O(CCHO)(CH3)	110.9240	2.104	2	110.9240	4.428	2	110.9240	4.428	2	110.9240	4.428	2	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:4:4:2:	4:4:	4:4:	O-2:C-4:C-4:O-2:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(CH3)2(OC)	O(C[6]C[6]2H)(CCCO)	O(CCCO)(CCHH)	C(OC[6])(CH3)2(OC)	O(C[6]C[6]2H)(CCCO)	O(CCCO)(CCHH)	110.6120	0.296	3	110.6120	0.088	3	110.5590	0.070	4	110.5590	0.070	4	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	2:4:4:2:	4:4:	4:4:	O-2:C-4:C-4:O-2:	C[6]-4:C-4:	C-4:C-4:	C(OC[6])(CH3)2(OC)	O(C[6]C[6]2H)(CCCO)	O(CC[5]HH)(CCCO)	C(OC[6])(CH3)2(OC)	O(C[6]C[6]2H)(CCCO)	O(CC[5]HH)(CCCO)	110.4000	0.000	1	110.4000	0.000	1	110.5590	0.070	4	110.5590	0.070	4	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	3:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	N[6]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(ON[6])(OC)(H)	O(N[6]C[6]2)(CC[6a]HO)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(ON[6])(OC)(H)	O(N[6]C[6]2)(CC[6a]HO)	O(CC[6a]HO)(CH3)	112.8330	0.000	1	112.8330	0.000	1	112.8330	0.000	1	112.8330	0.000	1	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:1:	4:1:	C-3:O-2:O-2:H-1:	C-4:H-1:	C-4:H-1:	C(CC[6a]O)(OH)2(H)	O(CCHO)(H)	O(CCHO)(H)	C(CC[6a]O)(OH)2(H)	O(CCHO)(H)	O(CCHO)(H)	112.3060	0.000	1	112.3060	0.000	1	112.3060	0.000	1	112.9905	0.770	4	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:1:	4:1:	C[5]-3:O-2:O-2:H-1:	C-4:H-1:	C-4:H-1:	C(C[5]N[5]2)(OH)2(H)	O(CC[5]HO)(H)	O(CC[5]HO)(H)	C(C[5]N[5]2)(OH)2(H)	O(CC[5]HO)(H)	O(CC[5]HO)(H)	113.6480	0.000	1	113.6480	0.000	1	113.6480	0.000	1	112.9905	0.770	4	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:1:	4:1:	C[6]-3:O-2:O-2:H-1:	C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6])(OH)2(H)	O(CC[6]HO)(H)	O(CC[6]HO)(H)	C(C[6]C[6]N[6])(OH)2(H)	O(CC[6]HO)(H)	O(CC[6]HO)(H)	113.8430	0.000	1	113.8430	0.000	1	113.8430	0.000	1	112.9905	0.770	4	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:1:	4:1:	C[6a]-3:O-2:O-2:H-1:	C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)(OH)2(H)	O(CC[6a]HO)(H)	O(CC[6a]HO)(H)	C(C[6a]C[6a]2)(OH)2(H)	O(CC[6a]HO)(H)	O(CC[6a]HO)(H)	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	112.9905	0.770	4	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:1:	4:4:	C-3:O-2:O-2:H-1:	C-4:H-1:	C-4:C-4:	C(CC[6a]O)(OC)(OH)(H)	O(CCHO)(H)	O(CCHO)2	C(CC[6a]O)(OC)(OH)(H)	O(CCHO)(H)	O(CCHO)2	111.8875	0.165	2	111.8875	0.027	2	111.8875	0.027	2	111.8875	0.027	2	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:2:	4:2:	C[6a]-3:O-2:O-2:H-1:	C-4:O-2:	C-4:O-2:	C(C[6a]C[6a]2)(OO)2(H)	O(CC[6a]HO)(OH)	O(CC[6a]HO)(OH)	C(C[6a]C[6a]2)(OO)2(H)	O(CC[6a]HO)(OH)	O(CC[6a]HO)(OH)	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:4:	4:1:	C-3:O-2:O-2:H-1:	C-4:C-4:	C-4:H-1:	C(CC[6a]O)(OC)(OH)(H)	O(CC[6a]HH)(CCHO)	O(CCHO)(H)	C(CC[6a]O)(OC)(OH)(H)	O(CC[6a]HH)(CCHO)	O(CCHO)(H)	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	112.1605	0.576	4	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:4:	4:1:	C[6]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:H-1:	C(C[6]C[6,6a]C[6])(OC)(OH)(H)	O(CC[6]HO)(CH3)	O(CC[6]HO)(H)	C(C[6]C[6,6a]C[6])(OC)(OH)(H)	O(CC[6]HO)(CH3)	O(CC[6]HO)(H)	113.2550	0.000	1	113.2550	0.000	1	112.1947	0.857	3	112.1605	0.576	4	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:4:	4:1:	C[6]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:H-1:	C(C[6]C[6]2)(OC)(OH)(H)	O(CC[6]HO)(CCHH)	O(CC[6]HO)(H)	C(C[6]C[6]2)(OC)(OH)(H)	O(CC[6]HO)(CCHH)	O(CC[6]HO)(H)	111.5480	0.000	1	111.5480	0.000	1	112.1947	0.857	3	112.1605	0.576	4	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:4:	4:1:	C[6]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:H-1:	C(C[6]C[6]2)(OC)(OH)(H)	O(CC[6]HO)(CH3)	O(CC[6]HO)(H)	C(C[6]C[6]2)(OC)(OH)(H)	O(CC[6]HO)(CH3)	O(CC[6]HO)(H)	111.7810	0.000	1	111.7810	0.000	1	112.1947	0.857	3	112.1605	0.576	4	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:4:	4:4:	C-3:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CCI)(OC)2(H)	O(CCHH)(CCHO)	O(CCHH)(CCHO)	C(CCI)(OC)2(H)	O(CCHH)(CCHO)	O(CCHH)(CCHO)	108.5865	0.053	2	108.5865	0.003	2	109.8690	4.936	3	111.9033	3.325	25	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:4:	4:4:	C-3:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CCO)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	C(CCO)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	112.4340	0.000	1	112.4340	0.000	1	109.8690	4.936	3	111.9033	3.325	25	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:4:	4:4:	C[6]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(OC)2(H)	O(CC[6]HO)(CCHH)	O(CC[6]HO)(CCHH)	C(C[6]C[6]N[6])(OC)2(H)	O(CC[6]HO)(CCHH)	O(CC[6]HO)(CCHH)	112.5760	0.870	3	112.5760	0.756	3	113.3731	0.913	7	111.9033	3.325	25	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:4:	4:4:	C[6]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(OC)2(H)	O(CC[6]HO)(CH3)	O(CC[6]HO)(CH3)	C(C[6]C[6]N[6])(OC)2(H)	O(CC[6]HO)(CH3)	O(CC[6]HO)(CH3)	113.9710	0.458	4	113.9710	0.210	4	113.3731	0.913	7	111.9033	3.325	25	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[6a]C[5a,6a]C[6a])(OC)2(H)	O(CC[6a]HO)(CH3)	O(CC[6a]HO)(CH3)	C(C[6a]C[5a,6a]C[6a])(OC)2(H)	O(CC[6a]HO)(CH3)	O(CC[6a]HO)(CH3)	112.5340	0.000	1	112.5340	0.000	1	111.6242	2.553	15	111.9033	3.325	25	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]2)(OC)2(H)	O(CC[6a]HO)(CH3)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a,6a]2)(OC)2(H)	O(CC[6a]HO)(CH3)	O(CC[6a]HO)(CH3)	108.4420	0.000	1	108.4420	0.000	1	111.6242	2.553	15	111.9033	3.325	25	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CCHH)	O(CC[6a]HO)(CCHH)	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CCHH)	O(CC[6a]HO)(CCHH)	113.0650	0.532	2	113.0650	0.283	2	111.6242	2.553	15	111.9033	3.325	25	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CH3)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(OC)2(H)	O(CC[6a]HO)(CH3)	O(CC[6a]HO)(CH3)	111.3847	1.629	6	111.3847	2.654	6	111.6242	2.553	15	111.9033	3.325	25	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(OC)2(H)	O(CC[6a]HO)(CCHH)	O(CC[6a]HO)(CCHH)	C(C[6a]C[6a]N[6a])(OC)2(H)	O(CC[6a]HO)(CCHH)	O(CC[6a]HO)(CCHH)	111.2100	0.000	1	111.2100	0.000	1	111.6242	2.553	15	111.9033	3.325	25	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:2:2:1:	4:4:	4:4:	C[6a]-3:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[6a]C[6a]N[6a])(OC)2(H)	O(CC[6a]HO)(CH3)	O(CC[6a]HO)(CH3)	C(C[6a]C[6a]N[6a])(OC)2(H)	O(CC[6a]HO)(CH3)	O(CC[6a]HO)(CH3)	111.9348	1.435	4	111.9348	2.061	4	111.6242	2.553	15	111.9033	3.325	25	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:3:2:2:	4:1:	4:1:	C-3:C-3:O-2:O-2:	C-4:H-1:	C-4:H-1:	C(COO)2(OH)2	O(CCCO)(H)	O(CCCO)(H)	C(COO)2(OH)2	O(CCCO)(H)	O(CCCO)(H)	113.7385	0.022	2	113.7385	0.000	2	113.7385	0.000	2	112.6460	0.781	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:3:2:2:	4:1:	4:1:	C[6]-3:C[6]-3:O-2:O-2:	C-4:H-1:	C-4:H-1:	C(C[6]C[6]N[6])2(OH)2	O(CC[6]2O)(H)	O(CC[6]2O)(H)	C(C[6]C[6]N[6])2(OH)2	O(CC[6]2O)(H)	O(CC[6]2O)(H)	112.1565	0.062	2	112.1565	0.004	2	112.1565	0.004	2	112.6460	0.781	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:3:2:2:	4:1:	4:1:	C[6a]-3:C-3:O-2:O-2:	C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]N[6a])(COO)(OH)2	O(CC[6a]CO)(H)	O(CC[6a]CO)(H)	C(C[6a]C[6a]N[6a])(COO)(OH)2	O(CC[6a]CO)(H)	O(CC[6a]CO)(H)	111.6520	0.000	1	111.6520	0.000	1	111.6520	0.000	1	112.6460	0.781	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:3:2:2:	4:1:	4:1:	C[6a]-3:C[6a]-3:O-2:O-2:	C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]2)2(OH)2	O(CC[6a]2O)(H)	O(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(OH)2	O(CC[6a]2O)(H)	O(CC[6a]2O)(H)	112.4340	0.000	1	112.4340	0.000	1	112.4340	0.000	1	112.6460	0.781	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:3:2:2:	4:4:	4:1:	C[6]-3:C[6]-3:O-2:O-2:	C-4:C-4:	C-4:H-1:	C(C[6]C[6]N[6])2(OC)(OH)	O(CC[6]2O)(CCHH)	O(CC[6]2O)(H)	C(C[6]C[6]N[6])2(OC)(OH)	O(CC[6]2O)(CCHH)	O(CC[6]2O)(H)	111.9380	0.000	1	111.9380	0.000	1	111.6653	0.746	3	111.6653	0.746	3	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:3:2:2:	4:4:	4:1:	C[6]-3:C[6]-3:O-2:O-2:	C-4:C-4:	C-4:H-1:	C(C[6]C[6]N[6])2(OC)(OH)	O(CC[6]2O)(CH3)	O(CC[6]2O)(H)	C(C[6]C[6]N[6])2(OC)(OH)	O(CC[6]2O)(CH3)	O(CC[6]2O)(H)	111.5290	1.175	2	111.5290	1.381	2	111.6653	0.746	3	111.6653	0.746	3	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:3:2:2:	4:4:	4:4:	C-3:C-3:O-2:O-2:	C-4:C-4:	C-4:C-4:	C(CCO)(CSS)(OC)2	O(CCCO)(CH3)	O(CCCO)(CH3)	C(CCO)(CSS)(OC)2	O(CCCO)(CH3)	O(CCCO)(CH3)	112.9020	0.000	1	112.9020	0.000	1	112.9020	0.000	1	111.6163	1.240	3	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C-4:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(OC)2	O(CC[6a]2O)(CCHH)	O(CC[6a]2O)(CCHH)	C(C[6a]C[6a]2)2(OC)2	O(CC[6a]2O)(CCHH)	O(CC[6a]2O)(CCHH)	110.9960	0.000	1	110.9960	0.000	1	110.9735	0.001	2	111.6163	1.240	3	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C-4:C-4:	C-4:C-4:	C(C[6a]C[6a]2)2(OC)2	O(CC[6a]2O)(CC[5]HH)	O(CC[6a]2O)(CC[5]HH)	C(C[6a]C[6a]2)2(OC)2	O(CC[6a]2O)(CC[5]HH)	O(CC[6a]2O)(CC[5]HH)	110.9510	0.000	1	110.9510	0.000	1	110.9735	0.001	2	111.6163	1.240	3	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:4:2:2:	2:4:	4:1:	C[6a]-3:C-4:O-2:O-2:	O-2:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH3)(OH)(OO)	O(OC[5,5,6])(CC[6a]CO)	O(CC[6a]CO)(H)	C(C[6a]C[6a]2)(CH3)(OH)(OO)	O(OC[5,5,6])(CC[6a]CO)	O(CC[6a]CO)(H)	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:4:2:2:	4:1:	4:1:	C[6a]-3:C-4:O-2:O-2:	C-4:H-1:	C-4:H-1:	C(C[6a]C[6a]N[6a])(CF3)(OH)2	O(CC[6a]CO)(H)	O(CC[6a]CO)(H)	C(C[6a]C[6a]N[6a])(CF3)(OH)2	O(CC[6a]CO)(H)	O(CC[6a]CO)(H)	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:4:2:2:	4:4:	4:4:	C[6]-3:C-4:O-2:O-2:	C-4:C-4:	C-4:C-4:	C(C[6]C[6]N[6])(CH3)(OC)2	O(CC[6]CO)(CH3)	O(CC[6]CO)(CH3)	C(C[6]C[6]N[6])(CH3)(OC)2	O(CC[6]CO)(CH3)	O(CC[6]CO)(CH3)	111.8560	0.517	3	111.8560	0.267	3	111.8560	0.267	3	110.1625	6.974	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:4:2:2:	4:4:	4:4:	C[6a]-3:C-4:O-2:O-2:	C-4:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CBrHH)(OC)2	O(CC[6a]CO)(CH3)	O(CC[6a]CO)(CH3)	C(C[6a]C[6a]2)(CBrHH)(OC)2	O(CC[6a]CO)(CH3)	O(CC[6a]CO)(CH3)	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1	110.1625	6.974	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	3:4:2:2:	4:4:	4:4:	C[6a]-3:C-4:O-2:O-2:	C-4:Si-4:	C-4:Si-4:	C(C[6a]C[6a]2)(CCCH)(OSi)2	O(CC[6a]CO)(SiC3)	O(CC[6a]CO)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)2	O(CC[6a]CO)(SiC3)	O(CC[6a]CO)(SiC3)	106.7795	0.063	2	106.7795	0.004	2	106.7795	0.004	2	110.1625	6.974	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	3:4:	4:4:	C-4:O-2:O-2:H-1:	N-3:C-4:	C-4:C-4:	C(CCHH)(OC)(ON)(H)	O(NC[6a]C)(CCHO)	O(CCHH)(CCHO)	C(CCHH)(OC)(ON)(H)	O(NC[6a]C)(CCHO)	O(CCHH)(CCHO)	104.7610	0.000	1	104.7610	0.000	1	104.7610	0.000	1	104.7610	0.000	1	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:1:	4:1:	C-4:O-2:O-2:H-1:	C-4:H-1:	C-4:H-1:	C(CCCN)(OH)2(H)	O(CCHO)(H)	O(CCHO)(H)	C(CCCN)(OH)2(H)	O(CCHO)(H)	O(CCHO)(H)	111.2820	0.730	2	111.2820	0.533	2	112.1772	0.935	6	111.9559	1.122	7	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:1:	4:1:	C-4:O-2:O-2:H-1:	C-4:H-1:	C-4:H-1:	C(CCl3)(OH)2(H)	O(CCHO)(H)	O(CCHO)(H)	C(CCl3)(OH)2(H)	O(CCHO)(H)	O(CCHO)(H)	112.2863	0.427	3	112.2863	0.183	3	112.1772	0.935	6	111.9559	1.122	7	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:1:	4:1:	C-4:O-2:O-2:H-1:	C-4:H-1:	C-4:H-1:	C(CFFP)(OH)2(H)	O(CCHO)(H)	O(CCHO)(H)	C(CFFP)(OH)2(H)	O(CCHO)(H)	O(CCHO)(H)	113.6400	0.000	1	113.6400	0.000	1	112.1772	0.935	6	111.9559	1.122	7	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:1:	4:1:	C[5]-4:O-2:O-2:H-1:	C-4:H-1:	C-4:H-1:	C(C[5]C[5]N[5]C)(OH)2(H)	O(CC[5]HO)(H)	O(CC[5]HO)(H)	C(C[5]C[5]N[5]C)(OH)2(H)	O(CC[5]HO)(H)	O(CC[5]HO)(H)	110.6280	0.000	1	110.6280	0.000	1	110.6280	0.000	1	111.9559	1.122	7	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:2:	4:1:	C[6]-4:O-2:O-2:H-1:	C-4:O-2:	C-4:H-1:	C(C[6]C[5,6,6]O[6]H)(OH)(OO)(H)	O(CC[6]HO)(OC)	O(CC[6]HO)(H)	C(C[6]C[5,6,6]O[6]H)(OH)(OO)(H)	O(CC[6]HO)(OC)	O(CC[6]HO)(H)	113.6750	0.000	1	113.6750	0.000	1	113.6750	0.000	1	113.6750	0.000	1	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:3:	4:3:	C-4:O-2:O-2:H-1:	C-4:N-3:	C-4:N-3:	C(CHOO)(ON)2(H)	O(CCHO)(NOO)	O(CCHO)(NOO)	C(CHOO)(ON)2(H)	O(CCHO)(NOO)	O(CCHO)(NOO)	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:1:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:H-1:	C(CCHH)(OC)(OH)(H)	O(CCHH)(CCHO)	O(CCHO)(H)	C(CCHH)(OC)(OH)(H)	O(CCHH)(CCHO)	O(CCHO)(H)	112.1930	0.000	1	112.1930	0.000	1	112.1930	0.000	1	112.1930	0.000	1	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:2:	C[5]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:O-2:	C(C[5]C[5,6,6]C[5]H)(OC)(OO)(H)	O(CC[5]HO)(CH3)	O(CC[5]HO)(OC)	C(C[5]C[5,6,6]C[5]H)(OC)(OO)(H)	O(CC[5]HO)(CH3)	O(CC[5]HO)(OC)	111.5240	0.000	1	111.5240	0.000	1	111.5240	0.000	1	111.5240	0.000	1	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CCCH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	C(CCCH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	112.2200	0.000	1	112.2200	0.000	1	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CCCH)(OC)2(H)	O(CC[3]HH)(CCHO)	O(CC[3]HH)(CCHO)	C(CCCH)(OC)2(H)	O(CC[3]HH)(CCHO)	O(CC[3]HH)(CCHO)	110.6743	1.194	3	110.6743	1.425	3	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CCHH)(OC)2(H)	O(CCHH)(CCHO)	O(CCHH)(CCHO)	C(CCHH)(OC)2(H)	O(CCHH)(CCHO)	O(CCHH)(CCHO)	110.4937	1.409	3	110.4937	1.985	3	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CCHH)(OC)2(H)	O(CCHH)(CCHO)	O(CCHO)(CC3)	C(CCHH)(OC)2(H)	O(CCHH)(CCHO)	O(CCHO)(CC3)	107.3085	0.168	2	107.3085	0.028	2	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CCHH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	C(CCHH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	111.9410	0.410	3	111.9410	0.168	3	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CCHN)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	C(CCHN)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	111.2070	1.560	2	111.2070	2.433	2	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CC[5]CC)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	C(CC[5]CC)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	108.9660	0.000	1	108.9660	0.000	1	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CC[5]CH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	C(CC[5]CH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	108.7745	0.793	2	108.7745	0.628	2	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CC[5]HH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	C(CC[5]HH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	112.1640	0.199	2	112.1640	0.040	2	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CC[6]HH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	C(CC[6]HH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	111.6650	0.000	1	111.6650	0.000	1	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CC[6a]CC)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	C(CC[6a]CC)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	110.0630	0.000	1	110.0630	0.000	1	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CC[6a]CH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	C(CC[6a]CH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	111.8480	1.216	2	111.8480	1.479	2	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CC[6a]CO)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	C(CC[6a]CO)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	111.1190	0.581	3	111.1190	0.338	3	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CC[6a]HH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	C(CC[6a]HH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	111.7200	0.000	1	111.7200	0.000	1	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CH3)(OC)2(H)	O(CCHO)2	O(CCHO)2	C(CH3)(OC)2(H)	O(CCHO)2	O(CCHO)2	112.0060	0.000	1	112.0060	0.000	1	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CHHN)(OC)2(H)	O(CCHH)(CCHO)	O(CCHH)(CCHO)	C(CHHN)(OC)2(H)	O(CCHH)(CCHO)	O(CCHH)(CCHO)	110.4834	2.009	12	110.4834	4.037	12	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CHHN)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	C(CHHN)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	111.3678	2.460	5	111.3678	6.052	5	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CHOO)(OC)2(H)	O(CCHH)(CCHO)	O(CCHH)(CCHO)	C(CHOO)(OC)2(H)	O(CCHH)(CCHO)	O(CCHH)(CCHO)	112.0380	0.000	1	112.0380	0.000	1	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CHOO)(OC)2(H)	O(CC[6]HH)(CCHO)	O(CC[6]HH)(CCHO)	C(CHOO)(OC)2(H)	O(CC[6]HH)(CCHO)	O(CC[6]HH)(CCHO)	112.7540	0.000	1	112.7540	0.000	1	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CN[5]HH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	C(CN[5]HH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	110.7782	1.079	4	110.7782	1.163	4	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(CN[6]HH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	C(CN[6]HH)(OC)2(H)	O(CCHO)(CH3)	O(CCHO)(CH3)	110.3140	0.000	1	110.3140	0.000	1	110.8228	2.848	52	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C-4:O-2:O-2:H-1:	C[6]-4:C-4:	C-4:C-4:	C(CBrCC)(OC[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHO)	O(CCHH)(CCHO)	C(CBrCC)(OC[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHO)	O(CCHH)(CCHO)	108.9390	0.000	1	108.9390	0.000	1	108.9390	0.000	1	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C[3]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[3]C[3,5]2H)(OC)2(H)	O(CC[3]HO)(CH3)	O(CC[3]HO)(CH3)	C(C[3]C[3,5]2H)(OC)2(H)	O(CC[3]HO)(CH3)	O(CC[3]HO)(CH3)	112.4710	0.000	1	112.4710	0.000	1	109.3057	7.532	3	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C[3]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[3]C[3]2Br)(OC)2(H)	O(CC[3]HO)(CH3)	O(CC[3]HO)(CH3)	C(C[3]C[3]2Br)(OC)2(H)	O(CC[3]HO)(CH3)	O(CC[3]HO)(CH3)	107.7230	0.187	2	107.7230	0.035	2	109.3057	7.532	3	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C[4]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[4]C[4,6]C[4]H)(OC)2(H)	O(CC[4]HO)(CCHH)	O(CC[4]HO)(CCHH)	C(C[4]C[4,6]C[4]H)(OC)2(H)	O(CC[4]HO)(CCHH)	O(CC[4]HO)(CCHH)	112.1550	0.000	1	112.1550	0.000	1	111.9990	0.049	2	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C[4]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[4]C[4]2H)(OC)2(H)	O(CC[4]HO)(CH3)	O(CC[4]HO)(CH3)	C(C[4]C[4]2H)(OC)2(H)	O(CC[4]HO)(CH3)	O(CC[4]HO)(CH3)	111.8430	0.000	1	111.8430	0.000	1	111.9990	0.049	2	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C[5]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[5]C[5]2Fe)(OC)2(H)	O(CC[5]HO)(CCHH)	O(CC[5]HO)(CCHH)	C(C[5]C[5]2Fe)(OC)2(H)	O(CC[5]HO)(CCHH)	O(CC[5]HO)(CCHH)	110.1230	0.000	1	110.1230	0.000	1	109.8646	2.990	7	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C[5]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[5]C[5]2H)(OC)2(H)	O(CC[5]HO)(CCHH)	O(CC[5]HO)(CCHH)	C(C[5]C[5]2H)(OC)2(H)	O(CC[5]HO)(CCHH)	O(CC[5]HO)(CCHH)	112.1355	0.655	2	112.1355	0.430	2	109.8646	2.990	7	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C[5]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[5]C[5]2H)(OC)2(H)	O(CC[5]HO)(CH3)	O(CC[5]HO)(CH3)	C(C[5]C[5]2H)(OC)2(H)	O(CC[5]HO)(CH3)	O(CC[5]HO)(CH3)	108.3607	0.363	3	108.3607	0.132	3	109.8646	2.990	7	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C[5]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[5]C[5a]C[5]N[5])(OC)2(H)	O(CC[5]HO)(CH3)	O(CC[5]HO)(CH3)	C(C[5]C[5a]C[5]N[5])(OC)2(H)	O(CC[5]HO)(CH3)	O(CC[5]HO)(CH3)	109.5760	0.000	1	109.5760	0.000	1	109.8646	2.990	7	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[6]C[4,5,6,6]C[5,6]H)(OC)2(H)	O(CC[6]HO)(CH3)	O(CC[6]HO)(CH3)	C(C[6]C[4,5,6,6]C[5,6]H)(OC)2(H)	O(CC[6]HO)(CH3)	O(CC[6]HO)(CH3)	112.1840	0.000	1	112.1840	0.000	1	110.5085	3.095	6	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[6]C[6]2Cr)(OC)2(H)	O(CC[6]HO)(CH3)	O(CC[6]HO)(CH3)	C(C[6]C[6]2Cr)(OC)2(H)	O(CC[6]HO)(CH3)	O(CC[6]HO)(CH3)	111.8010	0.160	2	111.8010	0.026	2	110.5085	3.095	6	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[6]C[6]2H)(OC)2(H)	O(CC[6]HO)(CH3)	O(CC[6]HO)(CH3)	C(C[6]C[6]2H)(OC)2(H)	O(CC[6]HO)(CH3)	O(CC[6]HO)(CH3)	108.4975	1.076	2	108.4975	1.157	2	110.5085	3.095	6	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:	C(C[6]C[6]O[6]C)(OC)2(H)	O(CC[6]HO)(CH3)	O(CC[6]HO)(CH3)	C(C[6]C[6]O[6]C)(OC)2(H)	O(CC[6]HO)(CH3)	O(CC[6]HO)(CH3)	110.2700	0.000	1	110.2700	0.000	1	110.5085	3.095	6	110.6443	3.025	71	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:3:2:2:	4:1:	4:1:	C-4:C-3:O-2:O-2:	C-4:H-1:	C-4:H-1:	C(CC[6a]ClH)(CNO)(OH)2	O(CCCO)(H)	O(CCCO)(H)	C(CC[6a]ClH)(CNO)(OH)2	O(CCCO)(H)	O(CCCO)(H)	112.3130	0.000	1	112.3130	0.000	1	112.7470	0.377	2	112.6807	0.202	3	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:3:2:2:	4:1:	4:1:	C-4:C-3:O-2:O-2:	C-4:H-1:	C-4:H-1:	C(CF3)(CCH)(OH)2	O(CCCO)(H)	O(CCCO)(H)	C(CF3)(CCH)(OH)2	O(CCCO)(H)	O(CCCO)(H)	113.1810	0.000	1	113.1810	0.000	1	112.7470	0.377	2	112.6807	0.202	3	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:3:2:2:	4:1:	4:1:	C[5]-4:C-3:O-2:O-2:	C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(COO)(OH)2	O(CC[5]CO)(H)	O(CC[5]CO)(H)	C(C[5]C[5]O[5]H)(COO)(OH)2	O(CC[5]CO)(H)	O(CC[5]CO)(H)	112.5480	0.000	1	112.5480	0.000	1	112.5480	0.000	1	112.6807	0.202	3	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	2:4:	4:2:	C-4:C-4:O-2:O-2:	O-2:C-4:	C-4:O-2:	C(CCHH)2(OO)2	O(OC[6])(CCCO)	O(CCCO)(OH)	C(CCHH)2(OO)2	O(OC[6])(CCCO)	O(CCCO)(OH)	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:1:	4:1:	C-4:C-4:O-2:O-2:	C-4:H-1:	C-4:H-1:	C(CCFF)(CF3)(OH)2	O(CCCO)(H)	O(CCCO)(H)	C(CCFF)(CF3)(OH)2	O(CCCO)(H)	O(CCCO)(H)	114.0380	0.000	1	114.0380	0.000	1	111.1244	5.912	5	111.6860	6.622	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:1:	4:1:	C-4:C-4:O-2:O-2:	C-4:H-1:	C-4:H-1:	C(CCHN)(CF3)(OH)2	O(CCCO)(H)	O(CCCO)(H)	C(CCHN)(CF3)(OH)2	O(CCCO)(H)	O(CCCO)(H)	113.4050	0.000	1	113.4050	0.000	1	111.1244	5.912	5	111.6860	6.622	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:1:	4:1:	C-4:C-4:O-2:O-2:	C-4:H-1:	C-4:H-1:	C(CC[6a]FF)(CF3)(OH)2	O(CCCO)(H)	O(CCCO)(H)	C(CC[6a]FF)(CF3)(OH)2	O(CCCO)(H)	O(CCCO)(H)	109.6590	0.734	2	109.6590	0.539	2	111.1244	5.912	5	111.6860	6.622	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:1:	4:1:	C-4:C-4:O-2:O-2:	C-4:H-1:	C-4:H-1:	C(CFHH)(CHHO)(OH)2	O(CCCO)(H)	O(CCCO)(H)	C(CFHH)(CHHO)(OH)2	O(CCCO)(H)	O(CCCO)(H)	108.8610	0.000	1	108.8610	0.000	1	111.1244	5.912	5	111.6860	6.622	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:1:	4:1:	C[5]-4:C-4:O-2:O-2:	C-4:H-1:	C-4:H-1:	C(C[5]C[5]O[5]H)(CF3)(OH)2	O(CC[5]CO)(H)	O(CC[5]CO)(H)	C(C[5]C[5]O[5]H)(CF3)(OH)2	O(CC[5]CO)(H)	O(CC[5]CO)(H)	114.4940	0.000	1	114.4940	0.000	1	114.4940	0.000	1	111.6860	6.622	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:2:	4:2:	C-4:C-4:O-2:O-2:	C-4:O-2:	C-4:O-2:	C(CCHH)2(OO)2	O(CCCO)(OC)	O(CCCO)(OC)	C(CCHH)2(OO)2	O(CCCO)(OC)	O(CCCO)(OC)	111.2487	1.175	9	111.2487	1.382	9	111.7411	0.779	33	111.7411	0.779	33	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:2:	4:2:	C-4:C-4:O-2:O-2:	C-4:O-2:	C-4:O-2:	C(CCHH)2(OO)2	O(CCCO)(OSi)	O(CCCO)(OC)	C(CCHH)2(OO)2	O(CCCO)(OSi)	O(CCCO)(OC)	110.9680	0.306	4	110.9680	0.093	4	111.7411	0.779	33	111.7411	0.779	33	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:2:	4:2:	C-4:C-4:O-2:O-2:	C-4:O-2:	C-4:O-2:	C(CCHH)2(OO)2	O(CCCO)(OSi)	O(CCCO)(OSi)	C(CCHH)2(OO)2	O(CCCO)(OSi)	O(CCCO)(OSi)	111.6570	0.000	1	111.6570	0.000	1	111.7411	0.779	33	111.7411	0.779	33	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:2:	4:2:	C-4:C-4:O-2:O-2:	C-4:O-2:	C-4:O-2:	C(CH3)2(OO)2	O(CCCO)(OC)	O(CCCO)(OC)	C(CH3)2(OO)2	O(CCCO)(OC)	O(CCCO)(OC)	112.2512	0.329	18	112.2512	0.108	18	111.7411	0.779	33	111.7411	0.779	33	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:2:	4:2:	C-4:C-4:O-2:O-2:	C-4:O-2:	C-4:O-2:	C(CH3)2(OO)2	O(CCCO)(OH)	O(CCCO)(OH)	C(CH3)2(OO)2	O(CCCO)(OH)	O(CCCO)(OH)	110.1680	0.000	1	110.1680	0.000	1	111.7411	0.779	33	111.7411	0.779	33	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:4:	4:1:	C-4:C-4:O-2:O-2:	C-4:C-4:	C-4:H-1:	C(CCHH)(CF3)(OC)(OH)	O(CCCO)(CH3)	O(CCCO)(H)	C(CCHH)(CF3)(OC)(OH)	O(CCCO)(CH3)	O(CCCO)(H)	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:4:	4:4:	C-4:C-4:O-2:O-2:	C-4:C-4:	C-4:C-4:	C(CCHH)(CH3)(OC)2	O(CCCH)(CCCO)	O(CCCO)(CCHH)	C(CCHH)(CH3)(OC)2	O(CCCH)(CCCO)	O(CCCO)(CCHH)	111.7390	0.000	1	111.7390	0.000	1	110.7812	0.331	5	110.7823	0.264	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:4:	4:4:	C-4:C-4:O-2:O-2:	C-4:C-4:	C-4:C-4:	C(CCHO)(CH3)(OC)2	O(CCCO)(CH3)	O(CCCO)(CH3)	C(CCHO)(CH3)(OC)2	O(CCCO)(CH3)	O(CCCO)(CH3)	110.8270	0.000	1	110.8270	0.000	1	110.7812	0.331	5	110.7823	0.264	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:4:	4:4:	C-4:C-4:O-2:O-2:	C-4:C-4:	C-4:C-4:	C(CH3)2(OC)2	O(CCCO)(CCHH)	O(CCCO)(CCHH)	C(CH3)2(OC)2	O(CCCO)(CCHH)	O(CCCO)(CCHH)	110.4365	0.258	2	110.4365	0.067	2	110.7812	0.331	5	110.7823	0.264	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:4:	4:4:	C-4:C-4:O-2:O-2:	C-4:C-4:	C-4:C-4:	C(CH3)2(OC)2	O(CC[5,6]HH)(CCCO)	O(CC[5]HH)(CCCO)	C(CH3)2(OC)2	O(CC[5,6]HH)(CCCO)	O(CC[5]HH)(CCCO)	110.4670	0.000	1	110.4670	0.000	1	110.7812	0.331	5	110.7823	0.264	6	111.9499	3.463	344	111.9499	3.463	344
490	893	893	0:SP3_SP3_SP3	C	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C-4:O-2:O-2:	C-4:Si-4:	C-4:C-4:	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	O(CC[6]CO)(SiC3)	O(CC[6]CO)(CH3)	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	O(CC[6]CO)(SiC3)	O(CC[6]CO)(CH3)	110.7880	0.000	1	110.7880	0.000	1	110.7880	0.000	1	110.7823	0.264	6	111.9499	3.463	344	111.9499	3.463	344
490	893	899	0:SP3_SP-NON_SP2	C	O	C	2:1:1:1:	3:4:	4:	O-2:C-1:H-1:H-1:	C-3:C-4:	C-4:	C(OC)(C)(H)2	O(CC[6]O)(CCHH)	C(CHHO)	C(OC)(C)(H)2	O(CC[6]O)(CCHH)	C(CHHO)	111.7430	0.000	1	111.7430	0.000	1	111.7430	0.000	1	111.7430	0.000	1	104.1411	49.481	3	104.1411	49.481	3
490	893	899	0:SP3_SP-NON_SP2	C	O	C	2:1:1:1:	4:3:	4:	O-2:C-1:H-1:H-1:	C-4:C-3:	C-4:	C(OC)(C)(H)2	O(CCHH)(CCO)	C(CHHO)	C(OC)(C)(H)2	O(CCHH)(CCO)	C(CHHO)	97.8623	0.000	1	97.8623	0.000	1	97.8623	0.000	1	97.8623	0.000	1	104.1411	49.481	3	104.1411	49.481	3
490	893	899	0:SP3_SP-NON_SP2	C	O	C	4:4:2:1:	4:3:	4:	C-4:C-4:O-2:C-1:	C-4:C-3:	C-4:	C(CH3)2(OC)(C)	O(CC3)(CCO)	C(CCCO)	C(CH3)2(OC)(C)	O(CC3)(CCO)	C(CCCO)	102.8180	0.000	1	102.8180	0.000	1	102.8180	0.000	1	102.8180	0.000	1	104.1411	49.481	3	104.1411	49.481	3
490	893	899	0:SP3_SP-NON_SP3	C	O	C	2:1:1:1:	4:1:	4:	O-2:C-1:H-1:H-1:	C-4:H-1:	C-4:	C(OH)(C)(H)2	O(CCHH)(H)	C(CHHO)	C(OH)(C)(H)2	O(CCHH)(H)	C(CHHO)	115.5370	0.000	1	115.5370	0.000	1	115.5370	0.000	1	115.5370	0.000	1	115.5370	0.000	1	115.5370	0.000	1
490	893	902	0:SP3_SP2_SP3	C	O	C[3]	3:2:1:1:	4:4:	4:3:4:	C[3]-3:O-2:H-1:H-1:	C-4:C-4:	C[3]-4:C[3]-3:C-4:	C(C[3]C[3]2)(OC)(H)2	O(CC[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]H)(CHHO)	C(C[3]C[3]2)(OC)(H)2	O(CC[3]HH)(CH3)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]H)(CHHO){2|C<3>}	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1
490	893	909	0:SP3_SP2_SP2	C	O	S	2:3:2:1:	4:3:	3:4:	S-2:C-3:O-2:H-1:	C-4:C-3:	C[6a]-3:C-4:	C(SC[6a])(CNO)(OC)(H)	O(CCHS)(CCO)	S(C[6a]C[6a]2)(CCHO)	C(SC[6a])(CNO)(OC)(H)	O(CCHS)(CCO)	S(C[6a]C[6a]2)(CCHO)	112.1870	0.000	1	112.1870	0.000	1	112.1870	0.000	1	112.1870	0.000	1	112.1870	0.000	1	112.1870	0.000	1
490	893	909	0:SP3_SP2_SP3	C	O	S	2:2:1:1:	4:4:	3:4:	S-2:O-2:H-1:H-1:	C-4:C-4:	C[6a]-3:C-4:	C(SC[6a])(OC)(H)2	O(CHHS)(CH3)	S(C[6a]N[6a]2)(CHHO)	C(SC[6a])(OC)(H)2	O(CHHS)(CH3)	S(C[6a]N[6a]2)(CHHO)	114.3180	0.000	1	114.3180	0.000	1	114.3180	0.000	1	114.3180	0.000	1	113.9373	0.088	6	113.9373	0.088	6
490	893	909	0:SP3_SP2_SP3	C	O	S	2:4:2:1:	4:4:	3:4:	S-2:C-4:O-2:H-1:	C-4:C-4:	C[6a]-3:C-4:	C(SC[6a])(CCHO)(OC)(H)	O(CCHS)(CH3)	S(C[6a]C[6a]2)(CCHO)	C(SC[6a])(CCHO)(OC)(H)	O(CCHS)(CH3)	S(C[6a]C[6a]2)(CCHO)	113.5510	0.000	1	113.5510	0.000	1	113.5510	0.000	1	113.5510	0.000	1	113.9373	0.088	6	113.9373	0.088	6
490	893	909	0:SP3_SP2_SP3	C	O	S	3:2:2:1:	4:4:	3:4:	C-3:S-2:O-2:H-1:	C-4:C-4:	C[6a]-3:C-4:	C(CC[6a]O)(SC[6a])(OC)(H)	O(CCHS)(CH3)	S(C[6a]C[6a]2)(CCHO)	C(CC[6a]O)(SC[6a])(OC)(H)	O(CCHS)(CH3)	S(C[6a]C[6a]2)(CCHO)	113.9387	0.219	4	113.9387	0.048	4	113.9387	0.048	4	113.9387	0.048	4	113.9373	0.088	6	113.9373	0.088	6
490	893	909	0:SP3_SP3_SP3	C	O	S	2:2:1:1:	4:1:	4:4:	O-2:S-2:H-1:H-1:	C-4:H-1:	C-4:C-4:	C(OH)(SC)(H)2	O(CHHS)(H)	S(CCHH)(CHHO)	C(OH)(SC)(H)2	O(CHHS)(H)	S(CCHH)(CHHO)	114.2755	0.373	2	114.2755	0.139	2	114.2755	0.139	2	114.2755	0.139	2	112.2963	8.452	4	112.2963	8.452	4
490	893	909	0:SP3_SP3_SP3	C	O	S	2:2:1:1:	4:4:	4:4:	O-2:S-2:H-1:H-1:	C[5]-4:C-4:	C-4:C-4:	C(OC[5])(SC)(H)2	O(C[5]C[5]2C)(CHHS)	S(CHHO)(CH3)	C(OC[5])(SC)(H)2	O(C[5]C[5]2C)(CHHS)	S(CHHO)(CH3)	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	112.2963	8.452	4	112.2963	8.452	4
490	893	909	0:SP3_SP3_SP3	C	O	S	4:3:2:2:	4:1:	4:4:	Si-4:C-3:O-2:S-2:	C-4:H-1:	C-4:C-4:	C(SiC[6a]2C)(COO)(OH)(SC)	O(CSiCS)(H)	S(CSiCO)(CCHH)	C(SiC[6a]2C)(COO)(OH)(SC)	O(CSiCS)(H)	S(CSiCO)(CCHH)	112.5020	0.000	1	112.5020	0.000	1	112.5020	0.000	1	112.5020	0.000	1	112.2963	8.452	4	112.2963	8.452	4
490	893	924	0:SP3_SP-NON_SP3	C	O	Br	3:2:1:1:	4:1:	4:	C[6a]-3:O-2:Br-1:H-1:	C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(OH)(Br)(H)	O(CC[6a]BrH)(H)	Br(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OH)(Br)(H)	O(CC[6a]BrH)(H)	Br(CC[6a]HO)	116.2750	0.000	1	116.2750	0.000	1	116.2750	0.000	1	116.2750	0.000	1	116.2750	0.000	1	116.2750	0.000	1
490	893	930	0:SP3_SP2_SP2	C	O	C	2:2:3:1:	3:4:	4:2:1:	O-2:O-2:C-3:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])2(COO)(H)	O(C[6a]C[6a]2)(CCHO)	C(CHOO)(ON)(O)	C(OC[6a])2(COO)(H)	O(C[6a]C[6a]2)(CCHO)	C(CHOO)(ON)(O)	106.6935	1.385	2	106.6935	1.919	2	106.6935	1.919	2	106.6935	1.919	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:2:3:1:	3:4:	4:2:2:	O-2:O-2:C-3:H-1:	C[6a]-3:C-4:	C-4:O-2:O-2:	C(OC[6a])2(COO)(H)	O(C[6a]C[6a]2)(CCHO)	C(CHOO)(OCu)2	C(OC[6a])2(COO)(H)	O(C[6a]C[6a]2)(CCHO)	C(CHOO)(OCu)2	109.5457	3.675	4	109.5457	13.504	4	109.5457	13.504	4	109.5457	13.504	4	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	2:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	N-2:C-4:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6])(CHHO)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6])(CHHO)(O)	111.9010	0.000	1	111.9010	0.000	1	111.9010	0.000	1	109.6940	12.094	8	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	2:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	O-2:C-4:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6])(CHHO)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6])(CHHO)(O)	111.0925	7.168	2	111.0925	51.379	2	109.3787	13.182	7	109.6940	12.094	8	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	2:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	O-2:C-4:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(OC[6a])(CHHO)(O)	108.6932	2.207	5	108.6932	4.873	5	109.3787	13.182	7	109.6940	12.094	8	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[5a]-3:C-4:	N-3:C-4:O-1:	C(OC[5a])(CNO)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	C(NC[6a]H)(CHHO)(O)	C(OC[5a])(CNO)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	C(NC[6a]H)(CHHO)(O)	111.2590	0.000	1	111.2590	0.000	1	108.8472	8.501	5	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[5a]-3:C-4:	N-3:C-4:O-1:	C(OC[5a])(CNO)(H)2	O(C[5a]N[5a]S[5a])(CCHH)	C(NC[6a]C)(CHHO)(O)	C(OC[5a])(CNO)(H)2	O(C[5a]N[5a]S[5a])(CCHH)	C(NC[6a]C)(CHHO)(O)	108.2442	2.985	4	108.2442	8.911	4	108.8472	8.501	5	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-3:C-4:H-1:	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]H)(CHHO)(H)	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]H)(CHHO)(H)	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	C(NC[6a]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	C(NC[6a]H)(CHHO)(O)	110.6520	0.000	1	110.6520	0.000	1	110.1689	3.383	73	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(NC[6a]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(NC[6a]H)(CHHO)(O)	108.7880	1.345	2	108.7880	1.809	2	110.1689	3.383	73	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6]2)(CHHO)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6]2)(CHHO)(O)	107.3185	0.245	2	107.3185	0.060	2	110.1689	3.383	73	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6]H)(CHHO)(O)	111.8360	0.000	1	111.8360	0.000	1	110.1689	3.383	73	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6a]2)(CHHO)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6a]2)(CHHO)(O)	109.1543	0.922	3	109.1543	0.851	3	110.1689	3.383	73	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6a]C)(CHHO)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6a]C)(CHHO)(O)	108.0210	0.000	1	108.0210	0.000	1	110.1689	3.383	73	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6a]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6a]H)(CHHO)(O)	111.1026	1.930	11	111.1026	3.726	11	110.1689	3.383	73	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NN[5]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NN[5]H)(CHHO)(O)	112.7380	0.000	1	112.7380	0.000	1	110.1689	3.383	73	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NN[6]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(NN[6]H)(CHHO)(O)	109.5840	0.000	1	109.5840	0.000	1	110.1689	3.383	73	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(NC[5a]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(NC[5a]H)(CHHO)(O)	110.1902	1.150	5	110.1902	1.321	5	110.1689	3.383	73	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(NC[6]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(NC[6]H)(CHHO)(O)	112.6930	0.000	1	112.6930	0.000	1	110.1689	3.383	73	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CHHO)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(NC[6a]2)(CHHO)(O)	109.9240	0.000	1	109.9240	0.000	1	110.1689	3.383	73	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(NC[6a]C)(CHHO)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(NC[6a]C)(CHHO)(O)	111.1550	0.757	4	111.1550	0.574	4	110.1689	3.383	73	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(NC[6a]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(NC[6a]H)(CHHO)(O)	109.9873	1.897	39	109.9873	3.600	39	110.1689	3.383	73	110.0530	3.740	79	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:2:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-3:C-4:C-2:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]H)(CHHO)(CN)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]H)(CHHO)(CN)	107.1408	0.758	6	107.1408	0.575	6	107.1408	0.575	6	107.1408	0.575	6	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:3:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-3:C-4:C-3:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CC[5a]H)(CHHO)(COO)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CC[5a]H)(CHHO)(COO)	107.8160	0.000	1	107.8160	0.000	1	108.2188	1.418	20	108.2188	1.418	20	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:3:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-3:C-4:C-3:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]H)(CHHO)(CCH)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]H)(CHHO)(CCH)	111.6630	0.000	1	111.6630	0.000	1	108.2188	1.418	20	108.2188	1.418	20	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:3:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-3:C-4:C-3:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]H)(CHHO)(CCO)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]H)(CHHO)(CCO)	107.8127	0.529	4	107.8127	0.280	4	108.2188	1.418	20	108.2188	1.418	20	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	3:4:3:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-3:C-4:C-3:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]H)(CHHO)(COO)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]H)(CHHO)(COO)	108.1175	1.011	14	108.1175	1.021	14	108.2188	1.418	20	108.2188	1.418	20	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:1:1:	O-2:C-3:H-1:H-1:	C[5]-3:C-4:	C-4:H-1:H-1:	C(OC[5])(CHH)(H)2	O(C[5]C[5]2)(CCHH)	C(CHHO)(H)2	C(OC[5])(CHH)(H)2	O(C[5]C[5]2)(CCHH)	C(CHHO)(H)2	109.1140	0.000	1	109.1140	0.000	1	109.1140	0.000	1	111.4685	6.394	63	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:1:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-1:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CHHO)(O)2	C(OC[6a])(COO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CHHO)(O)2	109.6390	0.000	1	109.6390	0.000	1	111.5065	6.406	62	111.4685	6.394	63	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:1:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-1:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(O)2	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(O)2	111.5371	2.540	61	111.5371	6.454	61	111.5065	6.406	62	111.4685	6.394	63	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	B[6a]-3:C-4:	C-4:O-2:O-1:	C(OB[6a])(COO)(H)2	O(B[6a]C[6a]N[6a])(CCHH)	C(CHHO)(OC)(O)	C(OB[6a])(COO)(H)2	O(B[6a]C[6a]N[6a])(CCHH)	C(CHHO)(OC)(O)	110.9680	0.000	1	110.9680	0.000	1	110.9680	0.000	1	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[5a]-3:C-4:	C-4:O-2:O-1:	C(OC[5a])(COO)(H)2	O(C[5a]C[5a,6a]C[5a])(CCHH)	C(CHHO)(OC)(O)	C(OC[5a])(COO)(H)2	O(C[5a]C[5a,6a]C[5a])(CCHH)	C(CHHO)(OC)(O)	111.5600	0.000	1	111.5600	0.000	1	111.4533	3.008	3	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[5a]-3:C-4:	C-4:O-2:O-1:	C(OC[5a])(COO)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	C(CHHO)(OC)(O)	C(OC[5a])(COO)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	C(CHHO)(OC)(O)	111.4000	2.449	2	111.4000	6.000	2	111.4533	3.008	3	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:N-2:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(NC)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(NC)(O)	112.1205	4.545	2	112.1205	20.653	2	112.1205	20.653	2	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	C(CHHO)(OC)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	C(CHHO)(OC)(O)	108.3630	0.000	2	108.3630	0.000	2	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	C(CHHO)(OH)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	C(CHHO)(OH)(O)	107.9680	0.000	1	107.9680	0.000	1	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[5,6a]N[6a])(CCHH)	C(CHHO)(OC)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[5,6a]N[6a])(CCHH)	C(CHHO)(OC)(O)	115.0050	0.445	2	115.0050	0.198	2	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6,6,6a]C[6a])(CCHH)	C(CHHO)(OC)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6,6,6a]C[6a])(CCHH)	C(CHHO)(OC)(O)	111.9975	0.581	2	111.9975	0.337	2	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(CHHO)(OH)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(CHHO)(OH)(O)	108.7800	0.000	1	108.7800	0.000	1	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CHHO)(OC)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CHHO)(OC)(O)	110.8448	1.445	8	110.8448	2.089	8	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CHHO)(OH)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CHHO)(OH)(O)	112.5605	1.273	2	112.5605	1.622	2	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OC)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OC)(O)	110.6900	2.490	131	110.6900	6.202	131	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OCo)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OCo)(O)	114.3324	0.632	5	114.3324	0.400	5	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OCu)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OCu)(O)	112.6626	2.913	5	112.6626	8.486	5	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OH)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OH)(O)	109.4732	2.115	71	109.4732	4.475	71	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OMg)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OMg)(O)	110.4452	1.089	6	110.4452	1.185	6	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OMn)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OMn)(O)	112.0565	4.782	2	112.0565	22.869	2	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(ONi)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(ONi)(O)	111.0723	2.937	3	111.0723	8.624	3	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OOs)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OOs)(O)	115.2940	0.000	1	115.2940	0.000	1	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OPt)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OPt)(O)	115.2155	1.074	2	115.2155	1.154	2	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OSn)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OSn)(O)	113.3245	2.378	2	113.3245	5.655	2	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(CHHO)(OC)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(CHHO)(OC)(O)	113.3465	3.055	2	113.3465	9.336	2	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(CHHO)(OH)(O)	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(CHHO)(OH)(O)	110.9593	1.001	3	110.9593	1.002	3	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(COO)(H)2	O(C[6a]N[6a]2)(CCHH)	C(CHHO)(OH)(O)	C(OC[6a])(COO)(H)2	O(C[6a]N[6a]2)(CCHH)	C(CHHO)(OH)(O)	111.6110	0.000	1	111.6110	0.000	1	110.5987	6.336	252	110.6219	6.318	258	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:2:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-2:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OCu)2	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OCu)2	113.2715	1.210	2	113.2715	1.464	2	112.6317	1.960	3	112.6317	1.960	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:2:2:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:O-2:O-2:	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OSn)2	C(OC[6a])(COO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(OSn)2	111.3520	0.000	1	111.3520	0.000	1	112.6317	1.960	3	112.6317	1.960	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[5]-3:C-4:	C-4:C-3:H-1:	C(OC[5])(CCH)(H)2	O(C[5]C[5,6a]C[5])(CCHH)	C(CHHO)(CCC)(H)	C(OC[5])(CCH)(H)2	O(C[5]C[5,6a]C[5])(CCHH)	C(CHHO)(CCC)(H)	111.5970	0.550	2	111.5970	0.303	2	109.9885	2.987	6	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[5]-3:C-4:	C-4:C-3:H-1:	C(OC[5])(CCH)(H)2	O(C[5]C[5,6a]N[5])(CCHH)	C(CHHO)(CCH)(H)	C(OC[5])(CCH)(H)2	O(C[5]C[5,6a]N[5])(CCHH)	C(CHHO)(CCH)(H)	108.7135	2.245	2	108.7135	5.040	2	109.9885	2.987	6	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[5]-3:C-4:	C-4:C-3:H-1:	C(OC[5])(CCH)(H)2	O(C[5]C[5]2)(CCHH)	C(CHHO)(CCH)(H)	C(OC[5])(CCH)(H)2	O(C[5]C[5]2)(CCHH)	C(CHHO)(CCH)(H)	109.6550	0.972	2	109.6550	0.944	2	109.9885	2.987	6	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[5a]-3:C-4:	C-4:C-3:H-1:	C(OC[5a])(CCH)(H)2	O(C[5a]C[5a,6a]C[5a])(CCHH)	C(CHHO)(CCC)(H)	C(OC[5a])(CCH)(H)2	O(C[5a]C[5a,6a]C[5a])(CCHH)	C(CHHO)(CCC)(H)	116.0210	0.000	1	116.0210	0.000	1	113.7770	10.071	2	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[5a]-3:C-4:	C-4:C-3:H-1:	C(OC[5a])(CCH)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	C(CHHO)(CCC)(H)	C(OC[5a])(CCH)(H)2	O(C[5a]C[5a]N[5a])(CCHH)	C(CHHO)(CCC)(H)	111.5330	0.000	1	111.5330	0.000	1	113.7770	10.071	2	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6]-3:C-4:	C-4:C-3:H-1:	C(OC[6])(CCH)(H)2	O(C[6]C[6]2)(CCHH)	C(CHHO)(CCH)(H)	C(OC[6])(CCH)(H)2	O(C[6]C[6]2)(CCHH)	C(CHHO)(CCH)(H)	107.5803	2.610	4	107.5803	6.814	4	107.7760	4.413	6	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6]-3:C-4:	C-4:C-3:H-1:	C(OC[6])(CCH)(H)2	O(C[6]C[6]2)(CCHH)	C(CHHO)(CHH)(H)	C(OC[6])(CCH)(H)2	O(C[6]C[6]2)(CCHH)	C(CHHO)(CHH)(H)	108.1675	1.078	2	108.1675	1.163	2	107.7760	4.413	6	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-3:H-1:	C(OC[6a])(CCH)(H)2	O(C[6a]C[5a,6a]C[6a,6a])(CCHH)	C(CHHO)(CCC)(H)	C(OC[6a])(CCH)(H)2	O(C[6a]C[5a,6a]C[6a,6a])(CCHH)	C(CHHO)(CCC)(H)	105.4770	0.000	1	105.4770	0.000	1	108.9034	5.993	111	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-3:H-1:	C(OC[6a])(CCH)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(CHHO)(CHH)(H)	C(OC[6a])(CCH)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(CHHO)(CHH)(H)	108.5485	0.439	2	108.5485	0.193	2	108.9034	5.993	111	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-3:H-1:	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CHHO)(CHH)(H)	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CHHO)(CHH)(H)	107.9705	1.213	2	107.9705	1.471	2	108.9034	5.993	111	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-3:H-1:	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CCC)(H)	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CCC)(H)	107.1749	0.995	14	107.1749	0.989	14	108.9034	5.993	111	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-3:H-1:	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CCH)(H)	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CCH)(H)	109.9521	3.005	33	109.9521	9.029	33	108.9034	5.993	111	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-3:H-1:	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CCl2)(H)	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CCl2)(H)	106.8980	1.933	4	106.8980	3.735	4	108.9034	5.993	111	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-3:H-1:	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CHH)(H)	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CHH)(H)	109.0191	2.079	54	109.0191	4.322	54	108.9034	5.993	111	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-3:H-1:	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(CHHO)(CHH)(H)	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(CHHO)(CHH)(H)	106.2710	0.000	1	106.2710	0.000	1	108.9034	5.993	111	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-3:I-1:	C(OC[6a])(CCI)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CCI)(I)	C(OC[6a])(CCI)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CCI)(I)	114.8150	0.000	1	114.8150	0.000	1	113.9013	0.789	3	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-3:I-1:	C(OC[6a])(CCI)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CHI)(I)	C(OC[6a])(CCI)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CHI)(I)	113.4445	0.571	2	113.4445	0.326	2	113.9013	0.789	3	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-3:O-1:	C(OC[6a])(CCO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CCC)(O)	C(OC[6a])(CCO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CCC)(O)	114.6670	0.000	1	114.6670	0.000	1	114.6670	0.000	1	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:N-3:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(CHHO)(NCC)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(CHHO)(NCC)(O)	113.0830	1.872	2	113.0830	3.506	2	110.9972	5.815	166	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:N-3:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(CHHO)(NCH)(O)	110.0360	0.259	2	110.0360	0.067	2	110.9972	5.815	166	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:N-3:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CHHO)(NCH)(O)	111.0213	2.007	12	111.0213	4.030	12	110.9972	5.815	166	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:N-3:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CHHO)(NHN)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(CHHO)(NHN)(O)	112.5701	1.022	13	112.5701	1.045	13	110.9972	5.815	166	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:N-3:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(NCC)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(NCC)(O)	110.0183	5.464	7	110.0183	29.857	7	110.9972	5.815	166	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:N-3:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(NCH)(O)	111.1566	2.434	101	111.1566	5.926	101	110.9972	5.815	166	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:N-3:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(NCN)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(NCN)(O)	109.5940	0.264	2	109.5940	0.070	2	110.9972	5.815	166	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:N-3:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(NHH)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(NHH)(O)	110.8960	0.000	1	110.8960	0.000	1	110.9972	5.815	166	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:N-3:O-1:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(NHN)(O)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(NHN)(O)	109.8695	1.237	26	109.8695	1.531	26	110.9972	5.815	166	110.1842	7.081	295	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:2:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:N-3:O-2:	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(NZnN)(OZn)	C(OC[6a])(CNO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(NZnN)(OZn)	109.2226	1.448	16	109.2226	2.098	16	109.2226	2.098	16	109.2226	2.098	16	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:3:3:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-3:C-3:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CCC)(CHH)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CCC)(CHH)	114.1225	0.098	2	114.1225	0.010	2	114.1225	0.010	2	114.1225	0.010	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:H-1:	C(OC[6a])(CCH)(H)2	O(C[6a]C[5a,6a]2)(CCHH)	C(CCHH)(CHHO)(H)	C(OC[6a])(CCH)(H)2	O(C[6a]C[5a,6a]2)(CCHH)	C(CCHH)(CHHO)(H)	109.1880	0.000	1	109.1880	0.000	1	105.3650	29.231	2	109.8253	19.288	6	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:H-1:	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CCCH)(CHHO)(H)	C(OC[6a])(CCH)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CCCH)(CHHO)(H)	101.5420	0.000	1	101.5420	0.000	1	105.3650	29.231	2	109.8253	19.288	6	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:4:1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:O-1:	C(OC[6a])(CCO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CC3)(O)	C(OC[6a])(CCO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CC3)(O)	112.0555	1.584	4	112.0555	2.508	4	112.0555	2.508	4	109.8253	19.288	6	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:4:2:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:C-2:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HO)(CHHO)(CC)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CC[6a]HO)(CHHO)(CC)	106.9010	0.000	1	106.9010	0.000	1	106.9010	0.000	1	107.5703	2.468	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:4:2:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:O-2:	C(OC[6a])(CCO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)2(OH)	C(OC[6a])(CCO)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)2(OH)	107.9050	2.065	2	107.9050	4.263	2	107.9050	4.263	2	107.5703	2.468	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:4:3:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:C-3:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(CHHO)(CH3)(CHH)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6,6a]C[6a])(CCHH)	C(CHHO)(CH3)(CHH)	107.1245	0.066	2	107.1245	0.004	2	110.4064	11.474	9	110.4064	11.474	9	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:4:3:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:C-3:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CCHH)(CHHO)(CCH)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CCHH)(CHHO)(CCH)	109.7750	0.000	1	109.7750	0.000	1	110.4064	11.474	9	110.4064	11.474	9	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:4:3:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:C-3:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CH3)(CCH)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CH3)(CCH)	112.3420	0.000	1	112.3420	0.000	1	110.4064	11.474	9	110.4064	11.474	9	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:4:3:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:C-3:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CH3)(CHH)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)(CH3)(CHH)	109.7680	0.000	1	109.7680	0.000	1	110.4064	11.474	9	110.4064	11.474	9	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:4:3:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:C-3:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)2(CCH)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)2(CCH)	115.5725	0.115	2	115.5725	0.013	2	110.4064	11.474	9	110.4064	11.474	9	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:4:3:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:C-3:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)2(CHH)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CHHO)2(CHH)	108.1895	1.572	2	108.1895	2.471	2	110.4064	11.474	9	110.4064	11.474	9	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:1:1:	3:4:	4:4:4:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:	C-4:C-4:C-4:	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CCHH)(CHHO)(CH3)	C(OC[6a])(CCC)(H)2	O(C[6a]C[6a]2)(CCHH)	C(CCHH)(CHHO)(CH3)	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:2:1:	3:4:	4:4:1:	O-2:C-3:O-2:H-1:	C[6a]-3:C-4:	C-4:C-4:O-1:	C(OC[6a])(CCO)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	C(CCHH)(CHOO)(O)	C(OC[6a])(CCO)(OC)(H)	O(C[6a]C[6a]2)(CCHO)	C(CCHH)(CHOO)(O)	114.3720	0.000	1	114.3720	0.000	1	114.3720	0.000	1	114.3720	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:2:1:	4:3:	4:3:1:	S-2:C-3:O-2:H-1:	C-4:C-3:	C-4:N-3:O-1:	C(SC[6a])(CNO)(OC)(H)	O(CCHS)(CCO)	C(CHOS)(NCH)(O)	C(SC[6a])(CNO)(OC)(H)	O(CCHS)(CCO)	C(CHOS)(NCH)(O)	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:3:1:	3:4:	3:4:1:	O-2:C-3:C-3:H-1:	C[6a]-3:C-4:	C-3:C-4:H-1:	C(OC[6a])(CCH)(COO)(H)	O(C[6a]C[6a]N[6a])(CCCH)	C(CC[6a]H)(CCHO)(H)	C(OC[6a])(CCH)(COO)(H)	O(C[6a]C[6a]N[6a])(CCCH)	C(CC[6a]H)(CCHO)(H)	107.7875	1.009	2	107.7875	1.018	2	107.7875	1.018	2	107.7875	1.018	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:3:1:	3:4:	4:2:1:	O-2:C-3:C-3:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(CCH)(COO)(H)	O(C[6a]C[6a]N[6a])(CCCH)	C(CCHO)(OC)(O)	C(OC[6a])(CCH)(COO)(H)	O(C[6a]C[6a]N[6a])(CCCH)	C(CCHO)(OC)(O)	111.6325	2.251	2	111.6325	5.066	2	111.6325	5.066	2	111.6325	5.066	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:3:3:1:	3:4:	4:4:1:	O-2:C-3:C-3:H-1:	C[5]-3:C-4:	C-4:C-4:O-1:	C(OC[5])(CCO)2(H)	O(C[5]C[5,6a]N[5])(CCCH)	C(CCHO)(CH3)(O)	C(OC[5])(CCO)2(H)	O(C[5]C[5,6a]N[5])(CCCH)	C(CCHO)(CH3)(O)	109.4460	1.877	2	109.4460	3.522	2	109.4460	3.522	2	109.4460	3.522	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:3:1:	3:4:	3:4:1:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CH3)(CNO)(H)	O(C[6a]C[6a]2)(CCCH)	C(NC[6a]H)(CCHO)(O)	C(OC[6a])(CH3)(CNO)(H)	O(C[6a]C[6a]2)(CCCH)	C(NC[6a]H)(CCHO)(O)	107.8350	0.000	1	107.8350	0.000	1	107.8350	0.000	1	107.8350	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:3:1:	3:4:	4:1:1:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:O-1:O-1:	C(OC[6a])(CH3)(COO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(O)2	C(OC[6a])(CH3)(COO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(O)2	111.4780	1.899	5	111.4780	3.607	5	111.4780	3.607	5	111.4780	3.607	5	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:3:1:	3:4:	4:2:1:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(CCHH)(COO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(OH)(O)	C(OC[6a])(CCHH)(COO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(OH)(O)	110.2230	0.000	1	110.2230	0.000	1	111.0199	1.017	36	111.0199	1.017	36	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:3:1:	3:4:	4:2:1:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(CH3)(COO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(OC)(O)	C(OC[6a])(CH3)(COO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(OC)(O)	109.8723	0.493	7	109.8723	0.243	7	111.0199	1.017	36	111.0199	1.017	36	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:3:1:	3:4:	4:2:1:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(CH3)(COO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(OH)(O)	C(OC[6a])(CH3)(COO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(OH)(O)	111.3353	0.892	28	111.3353	0.796	28	111.0199	1.017	36	111.0199	1.017	36	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:3:1:	3:4:	4:3:1:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:C-3:H-1:	C(OC[6a])(CHHN)(CCH)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(CHH)(H)	C(OC[6a])(CHHN)(CCH)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(CHH)(H)	100.9690	0.000	1	100.9690	0.000	1	100.9690	0.000	1	111.8844	21.137	15	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:3:1:	3:4:	4:3:1:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:N-3:O-1:	C(OC[6a])(CH3)(CNO)(H)	O(C[6a]C[6a,6a]C[6a])(CCCH)	C(CCHO)(NCC)(O)	C(OC[6a])(CH3)(CNO)(H)	O(C[6a]C[6a,6a]C[6a])(CCCH)	C(CCHO)(NCC)(O)	116.1280	0.641	2	116.1280	0.410	2	112.6641	12.943	14	111.8844	21.137	15	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:3:1:	3:4:	4:3:1:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:N-3:O-1:	C(OC[6a])(CH3)(CNO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(NCC)(O)	C(OC[6a])(CH3)(CNO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(NCC)(O)	114.2959	1.501	8	114.2959	2.253	8	112.6641	12.943	14	111.8844	21.137	15	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:3:1:	3:4:	4:3:1:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:N-3:O-1:	C(OC[6a])(CH3)(CNO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(NCH)(O)	C(OC[6a])(CH3)(CNO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(NCH)(O)	107.2120	0.423	2	107.2120	0.179	2	112.6641	12.943	14	111.8844	21.137	15	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:3:1:	3:4:	4:3:1:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:	C-4:N-3:O-1:	C(OC[6a])(CH3)(CNO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(NHN)(O)	C(OC[6a])(CH3)(CNO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(NHN)(O)	108.1250	2.437	2	108.1250	5.937	2	112.6641	12.943	14	111.8844	21.137	15	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:4:3:	3:4:	3:4:1:	O-2:C-4:C-4:C-3:	C[6a]-3:C-4:	N-3:C-4:O-1:	C(OC[6a])(CH3)2(CNO)	O(C[6a]C[6a]2)(CC3)	C(NC[5a]H)(CCCO)(O)	C(OC[6a])(CH3)2(CNO)	O(C[6a]C[6a]2)(CC3)	C(NC[5a]H)(CCCO)(O)	106.0961	2.483	9	106.0961	6.165	9	106.0961	6.165	9	106.0961	6.165	9	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:4:3:	3:4:	3:4:3:	O-2:C-4:C-4:C-3:	C[6a]-3:C-4:	C-3:C-4:C-3:	C(OC[6a])(CH3)2(CCC)	O(C[6a]C[6a]2)(CC3)	C(CC[6a]H)(CCCO)(CCH)	C(OC[6a])(CH3)2(CCC)	O(C[6a]C[6a]2)(CC3)	C(CC[6a]H)(CCCO)(CCH)	108.4755	2.459	2	108.4755	6.045	2	108.4755	6.045	2	108.4755	6.045	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:4:3:	3:4:	4:2:1:	O-2:C-4:C-4:C-3:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(CH3)2(COO)	O(C[6a]C[6a]2)(CC3)	C(CCCO)(OC)(O)	C(OC[6a])(CH3)2(COO)	O(C[6a]C[6a]2)(CC3)	C(CCCO)(OC)(O)	111.3404	1.204	5	111.3404	1.449	5	110.5938	1.194	13	110.5938	1.194	13	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:4:3:	3:4:	4:2:1:	O-2:C-4:C-4:C-3:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(OC[6a])(CH3)2(COO)	O(C[6a]C[6a]2)(CC3)	C(CCCO)(OH)(O)	C(OC[6a])(CH3)2(COO)	O(C[6a]C[6a]2)(CC3)	C(CCCO)(OH)(O)	110.1273	0.756	8	110.1273	0.572	8	110.5938	1.194	13	110.5938	1.194	13	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:4:3:	3:4:	4:2:2:	O-2:C-4:C-4:C-3:	C[6a]-3:C-4:	C-4:O-2:O-2:	C(OC[6a])(CH3)2(COO)	O(C[6a]C[6a]2)(CC3)	C(CCCO)(OCu)2	C(OC[6a])(CH3)2(COO)	O(C[6a]C[6a]2)(CC3)	C(CCCO)(OCu)2	111.3655	0.218	2	111.3655	0.048	2	111.3655	0.048	2	111.3655	0.048	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:4:3:	3:4:	4:3:1:	O-2:C-4:C-4:C-3:	C[6a]-3:C-4:	C-4:C-3:H-1:	C(OC[6a])(CH3)2(CCH)	O(C[6a]C[6a]2)(CC3)	C(CCCO)(CHO)(H)	C(OC[6a])(CH3)2(CCH)	O(C[6a]C[6a]2)(CC3)	C(CCCO)(CHO)(H)	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	110.8735	0.282	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:4:3:	3:4:	4:3:1:	O-2:C-4:C-4:C-3:	C[6a]-3:C-4:	C-4:N-3:O-1:	C(OC[6a])(CH3)2(CNO)	O(C[6a]C[6a,6a]N[6a])(CC3)	C(CCCO)(NHO)(O)	C(OC[6a])(CH3)2(CNO)	O(C[6a]C[6a,6a]N[6a])(CC3)	C(CCCO)(NHO)(O)	111.2490	0.000	1	111.2490	0.000	1	111.2490	0.000	1	110.8735	0.282	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	2:4:4:3:	3:4:	4:4:3:	O-2:C-4:C-4:C-3:	C[6a]-3:C-4:	C-4:C-4:C-3:	C(OC[6a])(CH3)2(CCC)	O(C[6a]C[6a]2)(CC3)	C(CCCO)(CH3)(CHH)	C(OC[6a])(CH3)2(CCC)	O(C[6a]C[6a]2)(CC3)	C(CCCO)(CH3)(CHH)	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	2:4:	3:4:1:	C-3:O-2:H-1:H-1:	N-2:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(ON)(H)2	O(NC[6])(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(ON)(H)2	O(NC[6])(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	2:4:	4:2:1:	C-3:O-2:H-1:H-1:	N-2:C-4:	C-4:O-2:O-1:	C(COO)(ON)(H)2	O(NC[6])(CCHH)	C(CHHO)(OC)(O)	C(COO)(ON)(H)2	O(NC[6])(CCHH)	C(CHHO)(OC)(O)	113.0750	0.000	1	113.0750	0.000	1	112.9085	0.055	2	112.9085	0.055	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	2:4:	4:2:1:	C-3:O-2:H-1:H-1:	N-2:C-4:	C-4:O-2:O-1:	C(COO)(ON)(H)2	O(NC[6])(CCHH)	C(CHHO)(OH)(O)	C(COO)(ON)(H)2	O(NC[6])(CCHH)	C(CHHO)(OH)(O)	112.7420	0.000	1	112.7420	0.000	1	112.9085	0.055	2	112.9085	0.055	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:3:4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C(CC[6a]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(C[6a]C[6a]2)(CC[6a]S)(CHHO)	C(CC[6a]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(C[6a]C[6a]2)(CC[6a]S)(CHHO)	112.7200	0.000	1	112.7200	0.000	1	112.7200	0.000	1	112.7200	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-3:C-4:H-1:	C(CCH)(OC)(H)2	O(CC[6]O)(CCHH)	C(CC[6a]H)(CHHO)(H)	C(CCH)(OC)(H)2	O(CC[6]O)(CCHH)	C(CC[6a]H)(CHHO)(H)	113.1330	0.000	1	113.1330	0.000	1	110.2739	6.119	7	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-3:C-4:H-1:	C(CCH)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CC[5]H)(CHHO)(H)	C(CCH)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CC[5]H)(CHHO)(H)	106.7010	0.000	1	106.7010	0.000	1	110.2739	6.119	7	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-3:C-4:H-1:	C(CCH)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CC[6]C)(CHHO)(H)	C(CCH)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CC[6]C)(CHHO)(H)	108.2130	0.000	1	108.2130	0.000	1	110.2739	6.119	7	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-3:C-4:H-1:	C(CCH)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CC[6a]C)(CHHO)(H)	C(CCH)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CC[6a]C)(CHHO)(H)	111.7445	2.164	2	111.7445	4.685	2	110.2739	6.119	7	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-3:C-4:H-1:	C(CCH)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CC[6a]H)(CHHO)(H)	C(CCH)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CC[6a]H)(CHHO)(H)	110.1905	1.582	2	110.1905	2.502	2	110.2739	6.119	7	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C[5]-3:C-4:I-1:	C(CC[5]I)(OC)(H)2	O(CC[6a]O)(CCHH)	C(C[5]C[5]O[5])(CHHO)(I)	C(CC[5]I)(OC)(H)2	O(CC[6a]O)(CCHH)	C(C[5]C[5]O[5])(CHHO)(I)	110.7830	0.000	1	110.7830	0.000	1	110.7830	0.000	1	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C[5a]-3:C-4:O-1:	C(CC[5a]O)(OC)(H)2	O(CC[6a]O)(CCHH)	C(C[5a]C[5a]O[5a])(CHHO)(O)	C(CC[5a]O)(OC)(H)2	O(CC[6a]O)(CCHH)	C(C[5a]C[5a]O[5a])(CHHO)(O)	109.4868	1.786	4	109.4868	3.189	4	109.4868	3.189	4	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(OC)(H)2	O(CC[5]O)(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	O(CC[5]O)(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	110.4250	0.000	1	110.4250	0.000	1	110.5052	2.633	38	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(OC)(H)2	O(CC[6]O)(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	O(CC[6]O)(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	110.1360	0.000	1	110.1360	0.000	1	110.5052	2.633	38	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(OC)(H)2	O(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	O(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	110.5177	1.667	36	110.5177	2.779	36	110.5052	2.633	38	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C[5a]-3:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	111.9460	0.914	2	111.9460	0.835	2	111.9460	0.835	2	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C[5a]-3:C-4:	N[5]-3:C-4:O-1:	C(CN[5]O)(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CCHH)	C(N[5]C[5]2)(CHHO)(O)	C(CN[5]O)(OC[5a])(H)2	O(C[5a]C[5a]N[5a])(CCHH)	C(N[5]C[5]2)(CHHO)(O)	108.8540	0.000	1	108.8540	0.000	1	108.8540	0.000	1	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C[5]-3:C-4:O-1:	C(CC[5]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(C[5]C[5]2)(CHHO)(O)	C(CC[5]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(C[5]C[5]2)(CHHO)(O)	113.7200	0.000	1	113.7200	0.000	1	113.7200	0.000	1	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	110.3098	2.849	9	110.3098	8.117	9	110.5238	7.673	10	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC[6a])(H)2	O(C[6a]C[6a]N[6a])(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	112.4500	0.000	1	112.4500	0.000	1	110.5238	7.673	10	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	N[5]-3:C-4:O-1:	C(CN[5]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(N[5]C[5]2)(CHHO)(O)	C(CN[5]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(N[5]C[5]2)(CHHO)(O)	108.4263	1.654	3	108.4263	2.736	3	110.6827	22.190	4	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	N[5]-3:C-4:O-1:	C(CN[5]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(N[5]C[5]N[5])(CHHO)(O)	C(CN[5]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(N[5]C[5]N[5])(CHHO)(O)	117.4520	0.000	1	117.4520	0.000	1	110.6827	22.190	4	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	N[5a]-3:C-4:O-1:	C(CN[5a]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(O)	C(CN[5a]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(O)	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	N[6]-3:C-4:O-1:	C(CN[6]O)(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(N[6]C[6]2)(CHHO)(O)	C(CN[6]O)(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CCHH)	C(N[6]C[6]2)(CHHO)(O)	110.4380	0.000	1	110.4380	0.000	1	109.2662	3.126	5	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	N[6]-3:C-4:O-1:	C(CN[6]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(N[6]C[6]2)(CHHO)(O)	C(CN[6]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(N[6]C[6]2)(CHHO)(O)	108.9733	1.896	4	108.9733	3.597	4	109.2662	3.126	5	110.4332	4.422	74	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:2:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:C-2:	C(CC[6a]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CC)	C(CC[6a]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CC)	113.9380	0.000	1	113.9380	0.000	1	113.9380	0.000	1	112.9710	1.870	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:2:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:N-2:	C(CC[6a]N)(OC[6a])(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	C(C[6a]C[6a]2)(CHHO)(NO)	C(CC[6a]N)(OC[6a])(H)2	O(C[6a]C[5,6a]C[6a])(CCHH)	C(C[6a]C[6a]2)(CHHO)(NO)	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	112.9710	1.870	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:3:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-3:C-4:C-3:	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CC[6a]H)(CHHO)(COO)	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CC[6a]H)(CHHO)(COO)	108.0270	0.000	1	108.0270	0.000	1	108.0270	0.000	1	109.2113	7.612	10	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:3:	C-3:O-2:H-1:H-1:	C-3:C-4:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OC)(H)2	O(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CCC)	C(CC[6a]C)(OC)(H)2	O(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CCC)	107.5810	0.000	1	107.5810	0.000	1	108.8030	12.264	4	109.2113	7.612	10	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:3:	C-3:O-2:H-1:H-1:	C-3:C-4:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OC)(H)2	O(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC)(H)2	O(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CCH)	109.2103	4.171	3	109.2103	17.400	3	108.8030	12.264	4	109.2113	7.612	10	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:3:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CHH)	C(CC[6a]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CHH)	107.5780	0.622	2	107.5780	0.387	2	107.5780	0.387	2	109.2113	7.612	10	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:3:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	N[5a]-3:C-4:C-3:	C(CN[5a]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(N[5a]C[5a,6]N[5a])(CHHO)(CHH)	C(CN[5a]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(N[5a]C[5a,6]N[5a])(CHHO)(CHH)	108.4820	0.000	1	108.4820	0.000	1	111.2393	5.793	3	109.2113	7.612	10	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:3:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	N[5a]-3:C-4:C-3:	C(CN[5a]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(CHH)	C(CN[5a]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(CHH)	112.6180	0.427	2	112.6180	0.182	2	111.2393	5.793	3	109.2113	7.612	10	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	3:4:4:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-3:C-4:C-4:	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CC[6]H)(CHHO)(CH3)	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CC[6]H)(CHHO)(CH3)	106.8870	0.000	1	106.8870	0.000	1	106.8870	0.000	1	106.8870	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:1:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:H-1:H-1:	C(CHH)(OC)(H)2	O(CC[5]O)(CCHH)	C(CHHO)(H)2	C(CHH)(OC)(H)2	O(CC[5]O)(CCHH)	C(CHHO)(H)2	109.2445	2.510	2	109.2445	6.298	2	109.2445	6.298	2	109.2445	6.298	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:2:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:O-2:O-1:	C(COO)(OC)(H)2	O(CC[6,6]O)(CCHH)	C(CHHO)(OC)(O)	C(COO)(OC)(H)2	O(CC[6,6]O)(CCHH)	C(CHHO)(OC)(O)	110.6600	0.000	1	110.6600	0.000	1	109.7812	8.313	4	109.7812	8.313	4	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:2:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:O-2:O-1:	C(COO)(OC)(H)2	O(CC[6,6]O)(CCHH)	C(CHHO)(OH)(O)	C(COO)(OC)(H)2	O(CC[6,6]O)(CCHH)	C(CHHO)(OH)(O)	111.4820	0.000	1	111.4820	0.000	1	109.7812	8.313	4	109.7812	8.313	4	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:2:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:O-2:O-1:	C(COO)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(OC)(O)	C(COO)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(OC)(O)	108.4915	4.236	2	108.4915	17.946	2	109.7812	8.313	4	109.7812	8.313	4	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CC[3]O)(CCHH)	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CC[3]O)(CCHH)	C(CHHO)(CHH)(H)	108.3690	1.538	8	108.3690	2.367	8	108.7786	2.766	18	109.5563	3.922	26	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CC[5,6]O)(CCHH)	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CC[5,6]O)(CCHH)	C(CHHO)(CHH)(H)	110.5960	0.000	1	110.5960	0.000	1	108.7786	2.766	18	109.5563	3.922	26	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CC[5]O)(CCHH)	C(CHHO)(CCH)(H)	C(CCH)(OC)(H)2	O(CC[5]O)(CCHH)	C(CHHO)(CCH)(H)	107.0210	0.000	1	107.0210	0.000	1	108.7786	2.766	18	109.5563	3.922	26	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CC[5]O)(CCHH)	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CC[5]O)(CCHH)	C(CHHO)(CHH)(H)	110.7170	0.506	2	110.7170	0.256	2	108.7786	2.766	18	109.5563	3.922	26	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(CCH)(H)	C(CCH)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(CCH)(H)	108.4013	2.177	3	108.4013	4.738	3	108.7786	2.766	18	109.5563	3.922	26	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(CHH)(H)	107.1170	0.000	1	107.1170	0.000	1	108.7786	2.766	18	109.5563	3.922	26	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CN[5]O)(CCHH)	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CN[5]O)(CCHH)	C(CHHO)(CHH)(H)	109.8040	0.000	1	109.8040	0.000	1	108.7786	2.766	18	109.5563	3.922	26	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CN[6]O)(CCHH)	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CN[6]O)(CCHH)	C(CHHO)(CHH)(H)	109.8860	0.000	1	109.8860	0.000	1	108.7786	2.766	18	109.5563	3.922	26	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:N-3:O-1:	C(CNO)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(NCC)(O)	C(CNO)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(NCC)(O)	110.1980	0.000	1	110.1980	0.000	1	111.3063	2.234	8	109.5563	3.922	26	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:N-3:O-1:	C(CNO)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(NHH)(O)	C(CNO)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(NHH)(O)	111.4646	1.540	7	111.4646	2.372	7	111.3063	2.234	8	109.5563	3.922	26	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:3:2:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:C-3:C-2:	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(CCH)(CC)	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(CCH)(CC)	107.7825	0.308	2	107.7825	0.095	2	107.7825	0.095	2	107.7825	0.095	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:4:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:C-4:O-1:	C(CCO)(OC)(H)2	O(CC[6]O)(CCHH)	C(CHHO)(CH3)(O)	C(CCO)(OC)(H)2	O(CC[6]O)(CCHH)	C(CHHO)(CH3)(O)	115.6840	0.000	1	115.6840	0.000	1	113.6890	2.043	4	112.8334	5.192	5	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:4:1:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:C-4:O-1:	C(CCO)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(CHHO)(O)	C(CCO)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(CHHO)(O)	113.0240	0.641	3	113.0240	0.411	3	113.6890	2.043	4	112.8334	5.192	5	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:4:1:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C[4]-4:C-4:O-1:	C(CC[4]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(C[4]C[4]2H)(CHHO)(O)	C(CC[4]O)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(C[4]C[4]2H)(CHHO)(O)	109.4110	0.000	1	109.4110	0.000	1	109.4110	0.000	1	112.8334	5.192	5	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:4:3:	C-3:O-2:H-1:H-1:	B-3:C-4:	C-4:C-4:C-3:	C(CCC)(OB)(H)2	O(BC[6a]C)(CCHH)	C(CHHO)(CH3)(CHH)	C(CCC)(OB)(H)2	O(BC[6a]C)(CCHH)	C(CHHO)(CH3)(CHH)	111.7920	0.000	1	111.7920	0.000	1	111.7920	0.000	1	109.5407	3.268	9	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:4:3:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:C-4:C-3:	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(CHHO)(CCH)	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(CHHO)(CCH)	109.9240	0.000	1	109.9240	0.000	1	109.4051	3.209	7	109.5407	3.268	9	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:4:3:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:C-4:C-3:	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(CHHO)(CHH)	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CCHH)(CHHO)(CHH)	108.0605	0.688	2	108.0605	0.473	2	109.4051	3.209	7	109.5407	3.268	9	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:4:3:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:C-4:C-3:	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(CF3)(CCC)	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(CF3)(CCC)	107.5930	0.000	1	107.5930	0.000	1	109.4051	3.209	7	109.5407	3.268	9	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:4:3:	C-3:O-2:H-1:H-1:	C-3:C-4:	C-4:C-4:C-3:	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(CH3)(CHH)	C(CCC)(OC)(H)2	O(CC[6a]O)(CCHH)	C(CHHO)(CH3)(CHH)	110.7327	1.778	3	110.7327	3.162	3	109.4051	3.209	7	109.5407	3.268	9	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	3:4:	4:4:3:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:	C[6]-4:C-4:C-3:	C(CC[6]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(C[6]C[6]2C)(CHHO)(CHH)	C(CC[6]C)(OC[6a])(H)2	O(C[6a]C[6a]2)(CCHH)	C(C[6]C[6]2C)(CHHO)(CHH)	108.2380	0.000	1	108.2380	0.000	1	108.2380	0.000	1	109.5407	3.268	9	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:2:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:N-2:	C-4:O-2:O-1:	C(COO)(ON)(H)2	O(CCHH)(NC)	C(CHHO)(OC)(O)	C(COO)(ON)(H)2	O(CCHH)(NC)	C(CHHO)(OC)(O)	110.9440	0.181	2	110.9440	0.033	2	111.3477	3.913	7	111.3477	3.913	7	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:2:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:N-2:	C-4:O-2:O-1:	C(COO)(ON)(H)2	O(CCHH)(NC)	C(CHHO)(OH)(O)	C(COO)(ON)(H)2	O(CCHH)(NC)	C(CHHO)(OH)(O)	111.5092	2.397	5	111.5092	5.747	5	111.3477	3.913	7	111.3477	3.913	7	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:2:	4:4:2:	C-3:O-2:H-1:H-1:	C-4:N-2:	C-4:C-4:N-2:	C(CCN)(ON)(H)2	O(CCHH)(NC)	C(CHHO)(CH3)(NO)	C(CCN)(ON)(H)2	O(CCHH)(NC)	C(CHHO)(CH3)(NO)	113.4705	1.925	2	113.4705	3.707	2	113.4705	3.707	2	113.4705	3.707	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	2:4:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	O-2:C-4:O-1:	C(COO)(OC)(H)2	O(CCHH)(CCO)	C(OC[6])(CHHO)(O)	C(COO)(OC)(H)2	O(CCHH)(CCO)	C(OC[6])(CHHO)(O)	111.7732	2.423	4	111.7732	5.873	4	111.7732	5.873	4	111.7732	5.873	4	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-3:C-4:H-1:	C(CCH)(OC)(H)2	O(CCHH)(CCO)	C(CC[6a]H)(CHHO)(H)	C(CCH)(OC)(H)2	O(CCHH)(CCO)	C(CC[6a]H)(CHHO)(H)	111.3395	2.147	2	111.3395	4.612	2	109.5498	3.957	5	110.3374	1.640	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-3:C-4:H-1:	C(CCH)(OC)(H)2	O(CCHH)(CNO)	C(CC[3]H)(CHHO)(H)	C(CCH)(OC)(H)2	O(CCHH)(CNO)	C(CC[3]H)(CHHO)(H)	108.0570	0.000	2	108.0570	0.000	2	109.5498	3.957	5	110.3374	1.640	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-3:C-4:H-1:	C(CCH)(OC)(H)2	O(CCHH)(CNO)	C(CC[6a]C)(CHHO)(H)	C(CCH)(OC)(H)2	O(CCHH)(CNO)	C(CC[6a]C)(CHHO)(H)	108.9560	0.000	1	108.9560	0.000	1	109.5498	3.957	5	110.3374	1.640	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(OC)(H)2	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CHHO)(O)	110.4660	0.854	9	110.4660	0.730	9	110.5592	0.705	11	110.3374	1.640	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(OC)(H)2	O(CCHH)(CHO)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	O(CCHH)(CHO)	C(C[6a]C[6a]2)(CHHO)(O)	110.9785	0.883	2	110.9785	0.780	2	110.5592	0.705	11	110.3374	1.640	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	N-3:C-4:O-1:	C(CNO)(OC)(H)2	O(CCHH)(CHO)	C(NC[6a]H)(CHHO)(O)	C(CNO)(OC)(H)2	O(CCHH)(CHO)	C(NC[6a]H)(CHHO)(O)	111.4250	0.000	1	111.4250	0.000	1	111.4250	0.000	1	110.3374	1.640	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	N[6]-3:C-4:O-1:	C(CN[6]O)(OC)(H)2	O(CCHH)(CCO)	C(N[6]C[6]2)(CHHO)(O)	C(CN[6]O)(OC)(H)2	O(CCHH)(CCO)	C(N[6]C[6]2)(CHHO)(O)	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	110.3374	1.640	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	3:4:3:	C-3:O-2:H-1:H-1:	C-4:C-3:	C[6]-3:C-4:N-3:	C(CC[6]N)(OC)(H)2	O(CCHH)(CCO)	C(C[6]C[6]N[6])(CHHO)(NIrH)	C(CC[6]N)(OC)(H)2	O(CCHH)(CCO)	C(C[6]C[6]N[6])(CHHO)(NIrH)	108.3680	0.000	1	108.3680	0.000	1	108.3680	0.000	1	110.6352	2.898	4	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	3:4:3:	C-3:O-2:H-1:H-1:	C-4:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OC)(H)2	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC)(H)2	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CHHO)(CCH)	111.3910	0.959	3	111.3910	0.920	3	111.3910	0.920	3	110.6352	2.898	4	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	3:4:4:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-3:C-4:C-4:	C(CCC)(OC)(H)2	O(CCHH)(CCO)	C(CC[6a]C)(CHHO)(CF3)	C(CCC)(OC)(H)2	O(CCHH)(CCO)	C(CC[6a]C)(CHHO)(CF3)	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:1:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:Cl-1:H-1:	C(CClH)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(Cl)(H)	C(CClH)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(Cl)(H)	104.4820	0.000	1	104.4820	0.000	1	104.4820	0.000	1	111.6308	26.070	6	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:1:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:H-1:H-1:	C(CHH)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(H)2	C(CHH)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(H)2	114.0265	7.843	2	114.0265	61.505	2	114.0265	61.505	2	111.6308	26.070	6	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:1:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:O-1:O-1:	C(COO)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(O)2	C(COO)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(O)2	112.4167	1.484	3	112.4167	2.204	3	112.4167	2.204	3	111.6308	26.070	6	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:O-2:H-1:	C(CHO)(OC)(H)2	O(CCHH)(CCH)	C(CHHO)(OC)(H)	C(CHO)(OC)(H)2	O(CCHH)(CCH)	C(CHHO)(OC)(H)	111.1223	2.710	3	111.1223	7.342	3	111.1223	7.342	3	110.5019	4.109	10	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(COO)(OC)(H)2	O(CCHH)(CCH)	C(CHHO)(OC)(O)	C(COO)(OC)(H)2	O(CCHH)(CCH)	C(CHHO)(OC)(O)	110.1050	0.000	1	110.1050	0.000	1	110.2360	3.441	7	110.5019	4.109	10	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(COO)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(OC)(O)	C(COO)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(OC)(O)	110.8492	1.834	4	110.8492	3.364	4	110.2360	3.441	7	110.5019	4.109	10	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(COO)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(OH)(O)	C(COO)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(OH)(O)	109.0750	2.517	2	109.0750	6.337	2	110.2360	3.441	7	110.5019	4.109	10	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CCHH)(CCC)	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CCHH)(CCC)	C(CHHO)(CHH)(H)	108.0730	0.000	1	108.0730	0.000	1	109.7434	7.950	28	109.8702	7.541	35	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CCHH)(CCN)	C(CHHO)(CCH)(H)	C(CCH)(OC)(H)2	O(CCHH)(CCN)	C(CHHO)(CCH)(H)	109.5095	4.002	2	109.5095	16.012	2	109.7434	7.950	28	109.8702	7.541	35	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(CCC)(H)	C(CCH)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(CCC)(H)	105.3910	0.000	1	105.3910	0.000	1	109.7434	7.950	28	109.8702	7.541	35	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(CHH)(H)	109.0240	2.694	13	109.0240	7.260	13	109.7434	7.950	28	109.8702	7.541	35	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CCHH)(CNO)	C(CHHO)(CCH)(H)	C(CCH)(OC)(H)2	O(CCHH)(CNO)	C(CHHO)(CCH)(H)	110.7620	4.060	2	110.7620	16.485	2	109.7434	7.950	28	109.8702	7.541	35	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CCHH)(CNO)	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CCHH)(CNO)	C(CHHO)(CHH)(H)	110.2890	2.393	5	110.2890	5.728	5	109.7434	7.950	28	109.8702	7.541	35	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CCHH)(COO)	C(CHHO)(CCH)(H)	C(CCH)(OC)(H)2	O(CCHH)(COO)	C(CHHO)(CCH)(H)	112.8490	1.996	3	112.8490	3.984	3	109.7434	7.950	28	109.8702	7.541	35	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CCHH)(COO)	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CCHH)(COO)	C(CHHO)(CHH)(H)	111.5030	0.000	1	111.5030	0.000	1	109.7434	7.950	28	109.8702	7.541	35	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:N-3:O-1:	C(CNO)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(NCH)(O)	C(CNO)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(NCH)(O)	110.3777	2.565	7	110.3777	6.581	7	110.3777	6.581	7	109.8702	7.541	35	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:3:2:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:C-3:C-2:	C(CCC)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(CCH)(CC)	C(CCC)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(CCH)(CC)	108.3500	0.000	1	108.3500	0.000	1	109.2963	2.594	3	109.2963	2.594	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:3:2:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:C-3:C-2:	C(CCC)(OC)(H)2	O(CCHH)(CNO)	C(CHHO)(CCH)(CC)	C(CCC)(OC)(H)2	O(CCHH)(CNO)	C(CHHO)(CCH)(CC)	109.7695	1.961	2	109.7695	3.845	2	109.2963	2.594	3	109.2963	2.594	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:3:3:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(CHH)(COO)	C(CCC)(OC)(H)2	O(CCHH)(CCO)	C(CHHO)(CHH)(COO)	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:C-4:O-1:	C(CCO)(OC)(H)2	O(CCHH)(CCO)	C(CCHH)(CHHO)(O)	C(CCO)(OC)(H)2	O(CCHH)(CCO)	C(CCHH)(CHHO)(O)	114.0530	0.334	2	114.0530	0.111	2	114.0530	0.111	2	111.7203	1.640	19	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C[3,5]-4:C-4:O-1:	C(CC[3,5]O)(OC)(H)2	O(CCHH)(CCO)	C(C[3,5]C[3,5]C[5,6]O[3])(CHHO)(O)	C(CC[3,5]O)(OC)(H)2	O(CCHH)(CCO)	C(C[3,5]C[3,5]C[5,6]O[3])(CHHO)(O)	111.5570	0.000	1	111.5570	0.000	1	111.5570	0.000	1	111.7203	1.640	19	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C[5,5]-4:C-4:O-1:	C(CC[5,5]O)(OC)(H)2	O(CCHH)(CCO)	C(C[5,5]C[5,5]C[5,6]O[5])(CHHO)(O)	C(CC[5,5]O)(OC)(H)2	O(CCHH)(CCO)	C(C[5,5]C[5,5]C[5,6]O[5])(CHHO)(O)	112.4430	0.356	4	112.4430	0.127	4	112.4430	0.127	4	111.7203	1.640	19	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C[5]-4:C-4:O-1:	C(CC[5]O)(OC)(H)2	O(CCHH)(CCO)	C(C[5]C[5,6]C[5]H)(CHHO)(O)	C(CC[5]O)(OC)(H)2	O(CCHH)(CCO)	C(C[5]C[5,6]C[5]H)(CHHO)(O)	113.3320	0.000	1	113.3320	0.000	1	111.1042	1.043	12	111.7203	1.640	19	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:C-3:	C[5]-4:C-4:O-1:	C(CC[5]O)(OC)(H)2	O(CCHH)(CCO)	C(C[5]C[5,6]C[5]O)(CHHO)(O)	C(CC[5]O)(OC)(H)2	O(CCHH)(CCO)	C(C[5]C[5,6]C[5]O)(CHHO)(O)	110.9017	0.779	11	110.9017	0.606	11	111.1042	1.043	12	111.7203	1.640	19	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:4:2:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:C-4:N-2:	C(CCN)(OC)(H)2	O(CCHH)(CCO)	C(CC[6a]CH)(CHHO)(NO)	C(CCN)(OC)(H)2	O(CCHH)(CCO)	C(CC[6a]CH)(CHHO)(NO)	113.2230	0.100	2	113.2230	0.010	2	113.2230	0.010	2	113.2230	0.010	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:C-4:C-3:	C(CCC)(OC)(H)2	O(CCHH)(CCO)	C(CCHH)(CHHO)(CCH)	C(CCC)(OC)(H)2	O(CCHH)(CCO)	C(CCHH)(CHHO)(CCH)	107.4180	0.000	1	107.4180	0.000	1	107.0340	0.147	4	107.0340	0.147	4	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:1:1:	4:3:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:C-3:	C-4:C-4:C-3:	C(CCC)(OC)(H)2	O(CCHH)(CCO)	C(CHHN)(CHHO)(CHH)	C(CCC)(OC)(H)2	O(CCHH)(CCO)	C(CHHN)(CHHO)(CHH)	106.9060	0.349	3	106.9060	0.122	3	107.0340	0.147	4	107.0340	0.147	4	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:3:1:	3:4:	4:2:1:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C(CC[6a]HO)(OC)(O)	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C(CC[6a]HO)(OC)(O)	106.1290	0.000	1	106.1290	0.000	1	108.0180	7.137	2	108.0180	7.137	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:3:1:	3:4:	4:2:1:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(CC[6a]HO)(OC)(O)	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(CC[6a]HO)(OC)(O)	109.9070	0.000	1	109.9070	0.000	1	108.0180	7.137	2	108.0180	7.137	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:3:1:	3:4:	4:3:1:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(OC[6a])(CCH)(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(OC[6a])(CCH)(H)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C(CC[6a]HO)(CCH)(H)	103.7040	0.000	1	103.7040	0.000	1	103.7040	0.000	1	105.7997	3.722	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:3:1:	3:4:	4:3:1:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	O(C[6a]C[6a]2)(CC[6a]CH)	C(CC[6a]HO)(NCH)(O)	106.8475	0.926	2	106.8475	0.857	2	106.8475	0.857	2	105.7997	3.722	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:4:1:	3:4:	3:4:1:	C-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(OC[6a])(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(OC[6a])(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	111.1825	0.056	2	111.1825	0.003	2	111.1825	0.003	2	110.2168	1.015	5	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:4:1:	3:4:	3:4:1:	C-3:O-2:C-4:H-1:	C[6a]-3:C-4:	N[5]-3:C-4:O-1:	C(CN[5]O)(OC[6a])(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(OC[6a])(CH3)(H)	O(C[6a]C[6a]2)(CCCH)	C(N[5]C[5]2)(CCHO)(O)	109.5730	0.688	3	109.5730	0.473	3	109.5730	0.473	3	110.2168	1.015	5	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:4:1:	3:4:	3:4:2:	C-3:O-2:C-4:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:N-2:	C(CC[6a]N)(OC[6a])(CHHO)(H)	O(C[6a]C[6a]2)(CCCH)	C(C[6a]C[6a]2)(CCHO)(NO)	C(CC[6a]N)(OC[6a])(CHHO)(H)	O(C[6a]C[6a]2)(CCCH)	C(C[6a]C[6a]2)(CCHO)(NO)	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:4:3:	3:4:	4:2:1:	C[6a]-3:O-2:C-4:C-3:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(OC[6a])(CCHH)(COO)	O(C[6a]C[6a]2)(CC[6a]CC)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(COO)	O(C[6a]C[6a]2)(CC[6a]CC)	C(CC[6a]CO)(OC)(O)	108.4645	0.304	4	108.4645	0.093	4	108.4645	0.093	4	108.4645	0.093	4	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:2:4:4:	3:4:	3:3:4:	C-3:O-2:C-4:C-4:	C[6a]-3:C-4:	C[5]-3:C[6a]-3:C-4:	C(CC[6a]C[5])(OC[6a])(CH3)2	O(C[6a]C[6a]2)(CC3)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCO)	C(CC[6a]C[5])(OC[6a])(CH3)2	O(C[6a]C[6a]2)(CC3)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCO)	112.3580	0.000	1	112.3580	0.000	1	112.3580	0.000	1	112.3580	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	3:4:	3:4:1:	N[5a]-3:C-3:O-2:H-1:	C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	O(C[6a]C[6a]2)(CN[5a]CH)	C(C[6a]C[6a]N[6a])(CN[5a]HO)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	O(C[6a]C[6a]2)(CN[5a]CH)	C(C[6a]C[6a]N[6a])(CN[5a]HO)(O)	107.5880	0.000	1	107.5880	0.000	1	107.5880	0.000	1	107.5880	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	3:4:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[5,5,6]O)(CC[6a]CH)	C(CC[6a]HO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[5,5,6]O)(CC[6a]CH)	C(CC[6a]HO)(CC[6a]H)(H)	102.9740	0.000	1	102.9740	0.000	1	102.9740	0.000	1	102.9740	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	3:4:	4:4:1:	N[5a]-3:C-3:O-2:H-1:	C[6a]-3:C-4:	C[5]-4:C-4:O-1:	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	O(C[6a]C[6a]2)(CN[5a]CH)	C(C[5]C[5]2Fe)(CN[5a]HO)(O)	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	O(C[6a]C[6a]2)(CN[5a]CH)	C(C[5]C[5]2Fe)(CN[5a]HO)(O)	104.2420	0.000	1	104.2420	0.000	1	104.2420	0.000	1	104.2420	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:2:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:N-2:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ON)(H)	O(CC[6a]CH)(NC)	C(CC[6a]HO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(ON)(H)	O(CC[6a]CH)(NC)	C(CC[6a]HO)(CC[6a]H)(H)	106.6430	0.000	1	106.6430	0.000	1	106.6430	0.000	1	106.6430	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	3:4:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C[6]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6]H)(OC)(H)	O(CC[6a]CH)(CCO)	C(C[6]C[6]2)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6]H)(OC)(H)	O(CC[6a]CH)(CCO)	C(C[6]C[6]2)(CC[6a]HO)(H)	106.7820	0.000	1	106.7820	0.000	1	106.7820	0.000	1	107.5045	1.044	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	3:4:1:	N[5]-3:C-3:O-2:H-1:	C-4:C-3:	C[6a]-3:C-4:O-1:	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	O(CN[5]CH)(CCO)	C(C[6a]C[6a]2)(CN[5]HO)(O)	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	O(CN[5]CH)(CCO)	C(C[6a]C[6a]2)(CN[5]HO)(O)	108.2270	0.000	1	108.2270	0.000	1	108.2270	0.000	1	107.5045	1.044	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	3:4:3:	C[6a]-3:C-3:O-2:H-1:	C-4:B-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OB)(H)	O(CC[6a]CH)(BC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(OB)(H)	O(CC[6a]CH)(BC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HO)(CC[6a]C)	105.8885	0.336	2	105.8885	0.113	2	105.8885	0.113	2	108.2608	8.385	4	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	3:4:3:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]C)(OC)(H)	O(CC[6a]CH)(CNO)	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]C)(OC)(H)	O(CC[6a]CH)(CNO)	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)	110.6330	1.591	2	110.6330	2.531	2	110.6330	2.531	2	108.2608	8.385	4	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:2:1:	C-3:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(COO)2(OC)(H)	O(CCCH)(CCN)	C(CCHO)(OC)(O)	C(COO)2(OC)(H)	O(CCCH)(CCN)	C(CCHO)(OC)(O)	107.4045	2.433	2	107.4045	5.920	2	107.4045	5.920	2	109.0423	2.021	11	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(OC[5])(O)	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(OC[5])(O)	109.4655	0.726	2	109.4655	0.527	2	109.4062	0.966	9	109.0423	2.021	11	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(OC[6,6])(O)	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(OC[6,6])(O)	110.6950	0.000	1	110.6950	0.000	1	109.4062	0.966	9	109.0423	2.021	11	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(OC[6])(O)	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(OC[6])(O)	109.9027	0.879	3	109.9027	0.772	3	109.4062	0.966	9	109.0423	2.021	11	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(OH)(O)	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(OH)(O)	108.1945	0.301	2	108.1945	0.090	2	109.4062	0.966	9	109.0423	2.021	11	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CC[5a]O)	C(CC[6a]HO)(OC)(O)	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CC[5a]O)	C(CC[6a]HO)(OC)(O)	108.9330	0.000	1	108.9330	0.000	1	109.4062	0.966	9	109.0423	2.021	11	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:3:1:	C[5a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:N-3:O-1:	C(C[5a]C[5a]O[5a])(CNO)(OC)(H)	O(CC[5a]CH)(CC[6a]O)	C(CC[5a]HO)(NCH)(O)	C(C[5a]C[5a]O[5a])(CNO)(OC)(H)	O(CC[5a]CH)(CC[6a]O)	C(CC[5a]HO)(NCH)(O)	108.0790	3.494	4	108.0790	12.211	4	108.0790	12.211	4	108.2946	4.869	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	C(CC[6a]HO)(CC[3]H)(H)	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	C(CC[6a]HO)(CC[3]H)(H)	108.5600	0.000	1	108.5600	0.000	1	108.0691	5.711	7	108.2946	4.869	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	C(CC[6a]HO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	C(CC[6a]HO)(CC[6a]H)(H)	106.6840	0.000	1	106.6840	0.000	1	108.0691	5.711	7	108.2946	4.869	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	C(CC[6a]HO)(CHH)(H)	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	C(CC[6a]HO)(CHH)(H)	109.3850	0.000	1	109.3850	0.000	1	108.0691	5.711	7	108.2946	4.869	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(CNO)	C(CC[6a]HO)(CHH)(H)	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(CNO)	C(CC[6a]HO)(CHH)(H)	109.1347	2.634	3	109.1347	6.939	3	108.0691	5.711	7	108.2946	4.869	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(COO)	C(CC[6a]HO)(CHH)(H)	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)(COO)	C(CC[6a]HO)(CHH)(H)	104.4510	0.000	1	104.4510	0.000	1	108.0691	5.711	7	108.2946	4.869	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(NCH)(O)	110.0980	0.000	1	110.0980	0.000	1	108.6433	1.748	7	108.2946	4.869	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(NC[6a]C)(O)	107.7635	0.402	2	107.7635	0.162	2	108.6433	1.748	7	108.2946	4.869	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(NC[6a]H)(O)	110.0840	0.000	1	110.0840	0.000	1	108.6433	1.748	7	108.2946	4.869	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CC[3x6]O)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CC[3x6]O)	C(CC[6a]HO)(NCH)(O)	107.7760	0.000	1	107.7760	0.000	1	108.6433	1.748	7	108.2946	4.869	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CC[6]O)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CC[6]O)	C(CC[6a]HO)(NCH)(O)	107.1310	0.000	1	107.1310	0.000	1	108.6433	1.748	7	108.2946	4.869	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	C(CC[6a]HO)(NC[6]H)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	C(CC[6a]HO)(NC[6]H)(O)	109.8870	0.000	1	109.8870	0.000	1	108.6433	1.748	7	108.2946	4.869	18	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:3:3:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(OC)(H)	O(CC[6a]CH)(CCC)	C(CC[6a]HO)(CC[5]C)(COO)	C(C[6a]C[6a]2)(CCC)(OC)(H)	O(CC[6a]CH)(CCC)	C(CC[6a]HO)(CC[5]C)(COO)	116.4810	0.000	1	116.4810	0.000	1	116.4810	0.000	1	116.4810	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:4:1:	C[6]-3:C-3:O-2:H-1:	C-4:C-3:	C[6]-4:C-4:O-1:	C(C[6]C[6]2)(CC[6]O)(OC)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]2C)(CC[6]HO)(O)	C(C[6]C[6]2)(CC[6]O)(OC)(H)	O(CC[6]CH)(CCO)	C(C[6]C[6]2C)(CC[6]HO)(O)	109.6270	0.453	2	109.6270	0.205	2	109.3973	0.261	3	109.0578	1.533	5	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:4:1:	C[6]-3:C-3:O-2:H-1:	C-4:C-3:	C[6]-4:C-4:O-1:	C(C[6]C[6]2)(CC[6]O)(OC)(H)	O(CC[6]CH)(COO)	C(C[6]C[6]2C)(CC[6]HO)(O)	C(C[6]C[6]2)(CC[6]O)(OC)(H)	O(CC[6]CH)(COO)	C(C[6]C[6]2C)(CC[6]HO)(O)	108.9380	0.000	1	108.9380	0.000	1	109.3973	0.261	3	109.0578	1.533	5	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:4:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:O-1:	C(C[6a]C[6a]2)(CCO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(CH3)(O)	C(C[6a]C[6a]2)(CCO)(OC)(H)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(CH3)(O)	110.0890	0.000	1	110.0890	0.000	1	108.5485	4.746	2	109.0578	1.533	5	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:2:1:	4:3:	4:4:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:O-1:	C(C[6a]C[6a]2)(CCO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	C(CC[6a]HO)(CN[5a]HH)(O)	C(C[6a]C[6a]2)(CCO)(OC)(H)	O(CC[6a]CH)(CC[6a]O)	C(CC[6a]HO)(CN[5a]HH)(O)	107.0080	0.000	1	107.0080	0.000	1	108.5485	4.746	2	109.0578	1.533	5	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:3:2:	4:3:	3:4:3:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:B-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)2(CC[6a]C)(OB)	O(CC[6a]2C)(BC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]C)(OB)	O(CC[6a]2C)(BC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2O)(CC[6a]C)	106.0650	0.000	1	106.0650	0.000	1	106.0650	0.000	1	106.0650	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:3:3:2:	4:3:	4:4:3:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:B-3:	C-4:C-4:C-3:	C(C[6a]C[6a]2)2(CCC)(OB)	O(CC[6a]2C)(BC[6a]C)	C(CC[6a]2O)(CH3)(CCC)	C(C[6a]C[6a]2)2(CCC)(OB)	O(CC[6a]2C)(BC[6a]C)	C(CC[6a]2O)(CH3)(CCC)	106.8160	0.139	2	106.8160	0.019	2	106.8160	0.019	2	106.8160	0.019	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:2:1:	3:4:	3:4:1:	C-3:C-4:O-2:H-1:	C-3:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CH3)(OC)(H)	O(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	110.1925	0.144	2	110.1925	0.021	2	110.2772	0.305	4	110.2772	0.305	4	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:2:1:	3:4:	3:4:1:	C-3:C-4:O-2:H-1:	C-3:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CH3)(OC)(H)	O(CN[6]O)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CH3)(OC)(H)	O(CN[6]O)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	109.7040	0.000	1	109.7040	0.000	1	110.2772	0.305	4	110.2772	0.305	4	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:2:1:	3:4:	3:4:1:	C-3:C-4:O-2:H-1:	C-3:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CHHN)(OC)(H)	O(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CHHN)(OC)(H)	O(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	111.0200	0.000	1	111.0200	0.000	1	110.2772	0.305	4	110.2772	0.305	4	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:2:1:	4:3:	3:4:1:	C-3:C-4:O-2:H-1:	C-4:C-3:	C[5,6]-3:C-4:O-1:	C(CC[5,6]O)(CCCH)(OC)(H)	O(CCCH)(CCO)	C(C[5,6]C[5,5,6]C[5,6])(CCHO)(O)	C(CC[5,6]O)(CCCH)(OC)(H)	O(CCCH)(CCO)	C(C[5,6]C[5,5,6]C[5,6])(CCHO)(O)	107.2510	0.041	2	107.2510	0.002	2	107.2510	0.002	2	108.0300	2.598	7	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:2:1:	4:3:	3:4:1:	C-3:C-4:O-2:H-1:	C-4:C-3:	C[5]-3:C-4:H-1:	C(CC[5]H)(CHHO)(OC)(H)	O(CCCH)(CCO)	C(C[5]C[5]O[5])(CCHO)(H)	C(CC[5]H)(CHHO)(OC)(H)	O(CCCH)(CCO)	C(C[5]C[5]O[5])(CCHO)(H)	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	108.0300	2.598	7	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:2:1:	4:3:	3:4:1:	C-3:C-4:O-2:H-1:	C-4:C-3:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CH3)(OC)(H)	O(CCCH)(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CH3)(OC)(H)	O(CCCH)(CCO)	C(C[6a]C[6a]2)(CCHO)(O)	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	108.0300	2.598	7	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:2:1:	4:3:	3:4:1:	C-3:C-4:O-2:H-1:	C-4:C-3:	N[5]-3:C-4:O-1:	C(CN[5]O)(CCHH)(OC)(H)	O(CCCH)(CCO)	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(CCHH)(OC)(H)	O(CCCH)(CCO)	C(N[5]C[5]2)(CCHO)(O)	110.9340	0.000	1	110.9340	0.000	1	108.2177	5.811	3	108.0300	2.598	7	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:2:1:	4:3:	3:4:1:	C-3:C-4:O-2:H-1:	C-4:C-3:	N[5]-3:C-4:O-1:	C(CN[5]O)(CCHN)(OC)(H)	O(CCCH)(CCO)	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(CCHN)(OC)(H)	O(CCCH)(CCO)	C(N[5]C[5]2)(CCHO)(O)	106.3330	0.000	1	106.3330	0.000	1	108.2177	5.811	3	108.0300	2.598	7	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:2:1:	4:3:	3:4:1:	C-3:C-4:O-2:H-1:	C-4:C-3:	N[5]-3:C-4:O-1:	C(CN[5]O)(CH3)(OC)(H)	O(CCCH)(CCO)	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(CH3)(OC)(H)	O(CCCH)(CCO)	C(N[5]C[5]2)(CCHO)(O)	107.3860	0.000	1	107.3860	0.000	1	108.2177	5.811	3	108.0300	2.598	7	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:2:1:	4:3:	4:2:1:	C-3:C-4:O-2:H-1:	C-4:C-3:	C-4:N-2:Cl-1:	C(CClN)(CH3)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(NO)(Cl)	C(CClN)(CH3)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(NO)(Cl)	108.6640	0.000	1	108.6640	0.000	1	108.6640	0.000	1	108.6640	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:2:1:	4:3:	4:4:1:	C-3:C-4:O-2:H-1:	C-4:C-3:	C[5,6]-4:C-4:O-1:	C(CC[5,6]O)(CCHH)(OC)(H)	O(CCCH)(CCO)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHO)(O)	C(CC[5,6]O)(CCHH)(OC)(H)	O(CCCH)(CCO)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHO)(O)	108.2155	0.145	2	108.2155	0.021	2	108.2155	0.021	2	108.3590	0.072	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:2:1:	4:3:	4:4:1:	C-3:C-4:O-2:H-1:	C-4:C-3:	C[6]-4:C-4:O-1:	C(CC[6]O)(CH3)(OC)(H)	O(CCCH)(CCO)	C(C[6]C[6]2C)(CCHO)(O)	C(CC[6]O)(CH3)(OC)(H)	O(CCCH)(CCO)	C(C[6]C[6]2C)(CCHO)(O)	108.6460	0.000	1	108.6460	0.000	1	108.6460	0.000	1	108.3590	0.072	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:2:2:	4:3:	3:4:1:	C-3:C-4:C-2:O-2:	C-4:C-3:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CCHH)(CN)(OC)	O(CC3)(CNO)	C(C[6a]C[6a]2)(CCCO)(O)	C(CC[6a]O)(CCHH)(CN)(OC)	O(CC3)(CNO)	C(C[6a]C[6a]2)(CCCO)(O)	113.6270	0.000	1	113.6270	0.000	1	113.6270	0.000	1	113.6270	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:3:2:	4:3:	4:1:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-3:	C-4:H-1:O-1:	C(C[6a]C[6a]2)(CH3)(CHO)(OC)	O(CC[6a]CC)(CC[6a]O)	C(CC[6a]CO)(H)(O)	C(C[6a]C[6a]2)(CH3)(CHO)(OC)	O(CC[6a]CC)(CC[6a]O)	C(CC[6a]CO)(H)(O)	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:3:2:	4:3:	4:3:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-3:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	O(CC[6a]CC)(CHH)	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	O(CC[6a]CC)(CHH)	C(CC[6a]CO)(NC[6a]H)(O)	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	3:4:4:2:	3:4:	3:4:1:	C-3:C-4:C-4:O-2:	C-3:C-4:	N[5]-3:C-4:O-1:	C(CN[5]O)(CH3)2(OC)	O(CC[6a]C)(CC3)	C(N[5]C[5]2)(CCCO)(O)	C(CN[5]O)(CH3)2(OC)	O(CC[6a]C)(CC3)	C(N[5]C[5]2)(CCCO)(O)	114.0570	0.972	2	114.0570	0.944	2	114.0570	0.944	2	114.0570	0.944	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:2:3:1:	3:4:	4:2:1:	C-4:O-2:C-3:H-1:	C[6a]-3:C-4:	C-4:O-2:O-1:	C(CC[6a]HO)(OC[6a])(COO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(OC)(O)	C(CC[6a]HO)(OC[6a])(COO)(H)	O(C[6a]C[6a]2)(CCCH)	C(CCHO)(OC)(O)	110.8675	0.005	2	110.8675	0.000	2	110.8675	0.000	2	110.8675	0.000	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:2:3:1:	3:4:	4:3:1:	Si-4:O-2:C-3:H-1:	B[5]-3:C-4:	C-4:C-3:H-1:	C(SiC[6a]CC)(OB[5])(CCH)(H)	O(B[5]O[5]2)(CSiCH)	C(CSiHO)(CCC)(H)	C(SiC[6a]CC)(OB[5])(CCH)(H)	O(B[5]O[5]2)(CSiCH)	C(CSiHO)(CCC)(H)	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	3:3:4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-3:C-3:C-4:	C(CH3)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[6a]Co)(CC[6a]C)(CCHO)	C(CH3)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[6a]Co)(CC[6a]C)(CCHO)	109.2880	0.000	1	109.2880	0.000	1	109.2880	0.000	1	109.2880	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-3:C-4:H-1:	C(CCHH)(CCH)(OC)(H)	O(CC[5]O)(CCCH)	C(CC[6a]H)(CCHO)(H)	C(CCHH)(CCH)(OC)(H)	O(CC[5]O)(CCCH)	C(CC[6a]H)(CCHO)(H)	109.6440	0.000	1	109.6440	0.000	1	110.1590	3.477	3	109.9093	0.981	36	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-3:C-4:H-1:	C(CCHH)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[5]H)(CCHO)(H)	C(CCHH)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[5]H)(CCHO)(H)	108.6060	0.000	1	108.6060	0.000	1	110.1590	3.477	3	109.9093	0.981	36	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-3:C-4:H-1:	C(CCHO)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[3]C)(CCHO)(H)	C(CCHO)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[3]C)(CCHO)(H)	112.2270	0.000	1	112.2270	0.000	1	110.1590	3.477	3	109.9093	0.981	36	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C[5a]-3:C-4:O-1:	C(CC[6a]N[6]H)(CC[5a]O)(OC)(H)	O(CC[6a]O)(CCCH)	C(C[5a]N[5a]2)(CCHO)(O)	C(CC[6a]N[6]H)(CC[5a]O)(OC)(H)	O(CC[6a]O)(CCCH)	C(C[5a]N[5a]2)(CCHO)(O)	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	109.9093	0.981	36	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C[6a]-3:C-4:O-1:	C(CN[5a]HH)(CC[6a]O)(OC)(H)	O(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	C(CN[5a]HH)(CC[6a]O)(OC)(H)	O(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	109.9033	0.942	31	109.9033	0.888	31	109.9033	0.888	31	109.9093	0.981	36	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	N-3:C-4:O-1:	C(CH3)(CNO)(OC)(H)	O(CC[5]O)(CCCH)	C(NC[5]H)(CCHO)(O)	C(CH3)(CNO)(OC)(H)	O(CC[5]O)(CCCH)	C(NC[5]H)(CCHO)(O)	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	109.9093	0.981	36	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	3:4:3:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-3:C-4:C-3:	C(CH3)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[3]H)(CCHO)(CCH)	C(CH3)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[3]H)(CCHO)(CCH)	109.9660	0.000	1	109.9660	0.000	1	109.9660	0.000	1	109.9660	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	3:4:4:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-3:C-4:C-4:	C(CCHH)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[5]H)(CCHO)(CH3)	C(CCHH)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[5]H)(CCHO)(CH3)	107.6580	2.596	2	107.6580	6.742	2	107.6580	6.742	2	107.6580	6.742	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:1:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:O-1:O-1:	C(CCHO)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(O)2	C(CCHO)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(O)2	111.5905	1.634	23	111.5905	2.669	23	111.5905	2.669	23	111.5905	2.669	23	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:2:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:O-2:O-1:	C(CCHH)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(OC)(O)	C(CCHH)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(OC)(O)	108.3440	1.583	2	108.3440	2.504	2	110.4636	3.689	26	110.4636	3.689	26	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:2:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:O-2:O-1:	C(CCHO)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(OC)(O)	C(CCHO)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(OC)(O)	112.8850	0.000	1	112.8850	0.000	1	110.4636	3.689	26	110.4636	3.689	26	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:2:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:O-2:O-1:	C(CCHO)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(OH)(O)	C(CCHO)(COO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(OH)(O)	110.6990	1.723	22	110.6990	2.969	22	110.4636	3.689	26	110.4636	3.689	26	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:2:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:O-2:O-1:	C(CH3)(COO)(OC)(H)	O(CC[5]O)(CCCH)	C(CCHO)(OC)(O)	C(CH3)(COO)(OC)(H)	O(CC[5]O)(CCCH)	C(CCHO)(OC)(O)	107.1030	0.000	1	107.1030	0.000	1	110.4636	3.689	26	110.4636	3.689	26	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CCCH)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CCH)(H)	C(CCCH)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CCH)(H)	109.8538	1.163	4	109.8538	1.352	4	108.1161	3.355	19	108.8683	4.276	33	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CCCN)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CHH)(H)	C(CCCN)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CHH)(H)	108.5440	0.000	1	108.5440	0.000	1	108.1161	3.355	19	108.8683	4.276	33	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CCFF)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CCH)(H)	C(CCFF)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CCH)(H)	109.0945	0.640	2	109.0945	0.410	2	108.1161	3.355	19	108.8683	4.276	33	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CCHH)(CCH)(OC)(H)	O(CC[4]O)(CCCH)	C(CCHO)(CHH)(H)	C(CCHH)(CCH)(OC)(H)	O(CC[4]O)(CCCH)	C(CCHO)(CHH)(H)	106.6670	0.000	1	106.6670	0.000	1	108.1161	3.355	19	108.8683	4.276	33	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CCHH)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CCC)(H)	C(CCHH)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CCC)(H)	104.3020	0.525	2	104.3020	0.275	2	108.1161	3.355	19	108.8683	4.276	33	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CCHH)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CCH)(H)	C(CCHH)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CCH)(H)	108.3025	2.471	2	108.3025	6.108	2	108.1161	3.355	19	108.8683	4.276	33	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CCHO)(CCH)(OC)(H)	O(CC[5,5,6]O)(CCCH)	C(CCHO)(CCH)(H)	C(CCHO)(CCH)(OC)(H)	O(CC[5,5,6]O)(CCCH)	C(CCHO)(CCH)(H)	108.7170	0.000	1	108.7170	0.000	1	108.1161	3.355	19	108.8683	4.276	33	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CC[6a]CN)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CHH)(H)	C(CC[6a]CN)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CHH)(H)	108.1110	0.000	1	108.1110	0.000	1	108.1161	3.355	19	108.8683	4.276	33	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CH3)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CHS)(H)	C(CH3)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CHS)(H)	107.4955	0.456	4	107.4955	0.208	4	108.1161	3.355	19	108.8683	4.276	33	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-3:H-1:	C(CHHO)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CCH)(H)	C(CHHO)(CCH)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(CCH)(H)	109.3710	0.000	1	109.3710	0.000	1	108.1161	3.355	19	108.8683	4.276	33	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:N-3:O-1:	C(CCCH)(CNO)(OC)(H)	O(CC[5]O)(CCCH)	C(CCHO)(NCC)(O)	C(CCCH)(CNO)(OC)(H)	O(CC[5]O)(CCCH)	C(CCHO)(NCC)(O)	108.7490	0.000	1	108.7490	0.000	1	109.8892	3.932	14	108.8683	4.276	33	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:N-3:O-1:	C(CCHO)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(NCC)(O)	C(CCHO)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(NCC)(O)	109.5263	0.678	4	109.5263	0.460	4	109.8892	3.932	14	108.8683	4.276	33	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:N-3:O-1:	C(CCHO)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(NCH)(O)	C(CCHO)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(NCH)(O)	112.6250	1.904	3	112.6250	3.626	3	109.8892	3.932	14	108.8683	4.276	33	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:N-3:O-1:	C(CCHO)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(NHH)(O)	C(CCHO)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(NHH)(O)	110.2930	1.414	2	110.2930	2.000	2	109.8892	3.932	14	108.8683	4.276	33	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:N-3:O-1:	C(CH3)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(NCN)(O)	C(CH3)(CNO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCHO)(NCN)(O)	108.2835	1.362	4	108.2835	1.855	4	109.8892	3.932	14	108.8683	4.276	33	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:4:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-4:O-1:	C(CCHH)(CCO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[5,5,6]CH)(CCHO)(O)	C(CCHH)(CCO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[5,5,6]CH)(CCHO)(O)	109.3630	0.000	1	109.3630	0.000	1	109.6073	0.093	3	109.6073	0.093	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:4:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-4:O-1:	C(CCHO)(CCO)(OC)(H)	O(CC[5,5,6]O)(CCCH)	C(CCHH)(CCHO)(O)	C(CCHO)(CCO)(OC)(H)	O(CC[5,5,6]O)(CCCH)	C(CCHH)(CCHO)(O)	109.9500	0.000	1	109.9500	0.000	1	109.6073	0.093	3	109.6073	0.093	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:4:1:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-4:O-1:	C(CH3)(CCO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CCHO)(O)	C(CH3)(CCO)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CCHO)(O)	109.5090	0.000	1	109.5090	0.000	1	109.6073	0.093	3	109.6073	0.093	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:4:3:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-4:C-3:	C(CCCH)(CCC)(OC)(H)	O(CC[5]O)(CCCH)	C(CCHO)(CH3)(CHH)	C(CCCH)(CCC)(OC)(H)	O(CC[5]O)(CCCH)	C(CCHO)(CH3)(CHH)	108.7910	0.000	1	108.7910	0.000	1	110.1662	5.844	10	110.1662	5.844	10	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:4:3:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-4:C-3:	C(CCHH)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CCHO)(CCH)	C(CCHH)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	C(CCCH)(CCHO)(CCH)	111.2580	0.000	1	111.2580	0.000	1	110.1662	5.844	10	110.1662	5.844	10	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:4:3:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-4:C-3:	C(CCHO)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[5]HO)(CCHO)(CHH)	C(CCHO)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[5]HO)(CCHO)(CHH)	110.9106	1.887	7	110.9106	3.559	7	110.1662	5.844	10	110.1662	5.844	10	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	3:4:	4:4:3:	C-4:C-3:O-2:H-1:	C-3:C-4:	C-4:C-4:C-3:	C(CC[3]HH)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[5]HO)(CCHO)(CHH)	C(CC[3]HH)(CCC)(OC)(H)	O(CC[6a]O)(CCCH)	C(CC[5]HO)(CCHO)(CHH)	105.2390	0.000	1	105.2390	0.000	1	110.1662	5.844	10	110.1662	5.844	10	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	2:4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	O-2:C-4:O-1:	C(CC[6a]HN)(COO)(OC)(H)	O(CCCH)(CNO)	C(OC[6])(CCHO)(O)	C(CC[6a]HN)(COO)(OC)(H)	O(CCCH)(CNO)	C(OC[6])(CCHO)(O)	110.7580	0.000	1	110.7580	0.000	1	111.1743	1.082	3	111.1743	1.082	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	2:4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	O-2:C-4:O-1:	C(CH3)(COO)(OC)(H)	O(CCCH)(CCO)	C(OC[6a])(CCHO)(O)	C(CH3)(COO)(OC)(H)	O(CCCH)(CCO)	C(OC[6a])(CCHO)(O)	111.3825	1.380	2	111.3825	1.903	2	111.1743	1.082	3	111.1743	1.082	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-3:C-4:H-1:	C(CCCH)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CC[6a]H)(CCHO)(H)	C(CCCH)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CC[6a]H)(CCHO)(H)	110.1560	0.000	1	110.1560	0.000	1	109.4840	0.903	2	108.5818	1.504	20	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-3:C-4:H-1:	C(CH3)(CCH)(OC)(H)	O(CCCH)(CNO)	C(CC[6a]H)(CCHO)(H)	C(CH3)(CCH)(OC)(H)	O(CCCH)(CNO)	C(CC[6a]H)(CCHO)(H)	108.8120	0.000	1	108.8120	0.000	1	109.4840	0.903	2	108.5818	1.504	20	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	N-3:C-4:O-1:	C(CC[6a]HS)(CNO)(OC)(H)	O(CCCH)(CCO)	C(NC[6a]C)(CCHO)(O)	C(CC[6a]HS)(CNO)(OC)(H)	O(CCCH)(CCO)	C(NC[6a]C)(CCHO)(O)	109.1557	0.561	10	109.1557	0.315	10	108.3698	1.378	17	108.5818	1.504	20	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	N-3:C-4:O-1:	C(CCl3)(CNO)(OC)(H)	O(CCCH)(CCO)	C(NC[6a]C)(CCHO)(O)	C(CCl3)(CNO)(OC)(H)	O(CCCH)(CCO)	C(NC[6a]C)(CCHO)(O)	106.5650	0.000	1	106.5650	0.000	1	108.3698	1.378	17	108.5818	1.504	20	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	N-3:C-4:O-1:	C(CH3)(CNO)(OC)(H)	O(CCCH)(CCO)	C(NC[6a]C)(CCHO)(O)	C(CH3)(CNO)(OC)(H)	O(CCCH)(CCO)	C(NC[6a]C)(CCHO)(O)	108.3050	0.000	1	108.3050	0.000	1	108.3698	1.378	17	108.5818	1.504	20	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	N-3:C-4:O-1:	C(CH3)(CNO)(OC)(H)	O(CCCH)(CCO)	C(NN[6a]C)(CCHO)(O)	C(CH3)(CNO)(OC)(H)	O(CCCH)(CCO)	C(NN[6a]C)(CCHO)(O)	107.1718	0.807	5	107.1718	0.651	5	108.3698	1.378	17	108.5818	1.504	20	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	3:4:1:	Si-4:C-3:O-2:H-1:	C-4:C-3:	C-3:C-4:H-1:	C(SiC3)(CCH)(OC)(H)	O(CSiCH)(CNO)	C(CC[6a]H)(CSiHO)(H)	C(SiC3)(CCH)(OC)(H)	O(CSiCH)(CNO)	C(CC[6a]H)(CSiHO)(H)	110.3810	0.000	1	110.3810	0.000	1	110.3810	0.000	1	108.5818	1.504	20	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	3:4:4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-3:C-4:C-4:	C(CCCH)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CC[5a]H)(CCHO)(CH3)	C(CCCH)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CC[5a]H)(CCHO)(CH3)	108.9210	0.000	1	108.9210	0.000	1	110.2748	4.134	12	110.2748	4.134	12	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	3:4:4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-3:C-4:C-4:	C(CCHH)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CC[5]H)(CCHO)(CH3)	C(CCHH)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CC[5]H)(CCHO)(CH3)	109.7346	2.103	5	109.7346	4.422	5	110.2748	4.134	12	110.2748	4.134	12	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	3:4:4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-3:C-4:C-4:	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CC[5]H)(CCHO)(CH3)	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CC[5]H)(CCHO)(CH3)	111.3370	0.000	1	111.3370	0.000	1	110.2748	4.134	12	110.2748	4.134	12	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	3:4:4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-3:C-4:C-4:	C(CC[3]CH)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CC[5a]H)(CCHO)(CH3)	C(CC[3]CH)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CC[5a]H)(CCHO)(CH3)	109.3050	0.000	1	109.3050	0.000	1	110.2748	4.134	12	110.2748	4.134	12	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	3:4:4:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-3:C-4:C-4:	C(CC[3]HH)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CC[5a]H)(CCHO)(CH3)	C(CC[3]HH)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CC[5a]H)(CCHO)(CH3)	111.2655	2.483	4	111.2655	6.166	4	110.2748	4.134	12	110.2748	4.134	12	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(CCCO)(COO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(OC)(O)	C(CCCO)(COO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(OC)(O)	101.5440	0.000	1	101.5440	0.000	1	109.3440	7.649	26	109.4930	6.739	31	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(CCHH)(COO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(OC)(O)	C(CCHH)(COO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(OC)(O)	105.6940	0.000	1	105.6940	0.000	1	109.3440	7.649	26	109.4930	6.739	31	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(CCHN)(COO)(OC)(H)	O(CCCH)(COO)	C(CCHO)(OC)(O)	C(CCHN)(COO)(OC)(H)	O(CCCH)(COO)	C(CCHO)(OC)(O)	110.7857	2.931	3	110.7857	8.589	3	109.3440	7.649	26	109.4930	6.739	31	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(CCHO)(COO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(OC)(O)	C(CCHO)(COO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(OC)(O)	112.7370	0.154	2	112.7370	0.024	2	109.3440	7.649	26	109.4930	6.739	31	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(CC[6a]HN)(COO)(OC)(H)	O(CCCH)(COO)	C(CCHO)(OC)(O)	C(CC[6a]HN)(COO)(OC)(H)	O(CCCH)(COO)	C(CCHO)(OC)(O)	110.4030	0.000	1	110.4030	0.000	1	109.3440	7.649	26	109.4930	6.739	31	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(CH3)(COO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(OC)(O)	C(CH3)(COO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(OC)(O)	109.1429	2.205	14	109.1429	4.862	14	109.3440	7.649	26	109.4930	6.739	31	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(CH3)(COO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(OH)(O)	C(CH3)(COO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(OH)(O)	109.8680	1.240	4	109.8680	1.537	4	109.3440	7.649	26	109.4930	6.739	31	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:2:1:	C[3]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(C[3]C[3]N[3]H)(COO)(OC)(H)	O(CC[3]CH)(COO)	C(CC[3]HO)(OC)(O)	C(C[3]C[3]N[3]H)(COO)(OC)(H)	O(CC[3]CH)(COO)	C(CC[3]HO)(OC)(O)	108.1430	0.000	1	108.1430	0.000	1	108.1430	0.000	1	109.4930	6.739	31	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:2:1:	C[5,6]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(C[5,6]C[5,5,6]2H)(COO)(OC)(H)	O(CC[5,6]CH)(CC[6a]O)	C(CC[5,6]HO)(OC)(O)	C(C[5,6]C[5,5,6]2H)(COO)(OC)(H)	O(CC[5,6]CH)(CC[6a]O)	C(CC[5,6]HO)(OC)(O)	111.0700	0.000	1	111.0700	0.000	1	111.0700	0.000	1	109.4930	6.739	31	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:2:1:	C[6]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(C[6]C[6,6]C[6]H)(COO)(OC)(H)	O(CC[6]CH)(CCO)	C(CC[6]HO)(OC)(O)	C(C[6]C[6,6]C[6]H)(COO)(OC)(H)	O(CC[6]CH)(CCO)	C(CC[6]HO)(OC)(O)	111.2285	0.131	2	111.2285	0.017	2	110.7087	0.819	3	109.4930	6.739	31	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:2:1:	C[6]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:O-2:O-1:	C(C[6]C[6]2H)(COO)(OC)(H)	O(CC[6]CH)(CCO)	C(CC[6]HO)(OC)(O)	C(C[6]C[6]2H)(COO)(OC)(H)	O(CC[6]CH)(CCO)	C(CC[6]HO)(OC)(O)	109.6690	0.000	1	109.6690	0.000	1	110.7087	0.819	3	109.4930	6.739	31	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCCH)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCC)(H)	C(CCCH)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCC)(H)	108.9560	2.157	2	108.9560	4.651	2	108.6199	2.692	22	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCCH)(CCH)(OC)(H)	O(CCCH)(CNO)	C(CCHO)(CCH)(H)	C(CCCH)(CCH)(OC)(H)	O(CCCH)(CNO)	C(CCHO)(CCH)(H)	105.8080	0.000	1	105.8080	0.000	1	108.6199	2.692	22	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCCO)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(H)	C(CCCO)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(H)	108.0110	0.000	1	108.0110	0.000	1	108.6199	2.692	22	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCC)(H)	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCC)(H)	111.3220	0.000	1	111.3220	0.000	1	108.6199	2.692	22	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(H)	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(H)	107.2850	2.854	3	107.2850	8.146	3	108.6199	2.692	22	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHH)(H)	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHH)(H)	107.2290	0.000	1	107.2290	0.000	1	108.6199	2.692	22	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(H)	109.6693	0.423	4	109.6693	0.179	4	108.6199	2.692	22	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHH)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHH)(H)	109.2090	0.000	1	109.2090	0.000	1	108.6199	2.692	22	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHN)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHN)(H)	107.5120	0.000	1	107.5120	0.000	1	108.6199	2.692	22	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CC[5]HH)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCC)(H)	C(CC[5]HH)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCC)(H)	108.6310	0.000	1	108.6310	0.000	1	108.6199	2.692	22	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CC[6]HH)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(H)	C(CC[6]HH)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(H)	108.7730	0.000	1	108.7730	0.000	1	108.6199	2.692	22	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CC[6]HO)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCC)(H)	C(CC[6]HO)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCC)(H)	109.7880	0.000	1	109.7880	0.000	1	108.6199	2.692	22	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CC[6]HO)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(H)	C(CC[6]HO)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(H)	109.6190	0.115	2	109.6190	0.013	2	108.6199	2.692	22	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CH3)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCS)(H)	C(CH3)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCS)(H)	107.0130	0.000	1	107.0130	0.000	1	108.6199	2.692	22	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CH3)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHS)(H)	C(CH3)(CCH)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHS)(H)	108.6590	0.000	1	108.6590	0.000	1	108.6199	2.692	22	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:O-1:	C(CC[5]CH)(CCO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCC)(O)	C(CC[5]CH)(CCO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCC)(O)	110.1660	0.000	1	110.1660	0.000	1	110.1660	0.000	1	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:N-3:O-1:	C(CCCH)(CNO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(NCH)(O)	C(CCCH)(CNO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(NCH)(O)	110.5618	1.211	4	110.5618	1.467	4	110.1926	4.672	9	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:N-3:O-1:	C(CCHH)(CNO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(NCH)(O)	C(CCHH)(CNO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(NCH)(O)	108.0380	0.000	1	108.0380	0.000	1	110.1926	4.672	9	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:N-3:O-1:	C(CC[6a]HH)(CNO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(NCH)(O)	C(CC[6a]HH)(CNO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(NCH)(O)	112.5785	0.028	2	112.5785	0.001	2	110.1926	4.672	9	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:N-3:O-1:	C(CH3)(CNO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(NCH)(O)	C(CH3)(CNO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(NCH)(O)	108.1455	2.832	2	108.1455	8.020	2	110.1926	4.672	9	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C[4,5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(C[4,5]C[4,5,5]C[4]C[5])(CCH)(OC)(H)	O(CC[4,5]CH)(CC[6a]O)	C(CC[4,5]HO)(CHH)(H)	C(C[4,5]C[4,5,5]C[4]C[5])(CCH)(OC)(H)	O(CC[4,5]CH)(CC[6a]O)	C(CC[4,5]HO)(CHH)(H)	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C[4]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(C[4]C[4]2H)(CCH)(OC)(H)	O(CC[4]CH)(CC[6a]O)	C(CC[4]HO)(CCH)(H)	C(C[4]C[4]2H)(CCH)(OC)(H)	O(CC[4]CH)(CC[6a]O)	C(CC[4]HO)(CCH)(H)	105.0570	0.000	1	105.0570	0.000	1	105.0570	0.000	1	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C[5,6]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	O(CC[5,6]CH)(CCO)	C(CC[5,6]HO)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	O(CC[5,6]CH)(CCO)	C(CC[5,6]HO)(CCH)(H)	108.8670	0.960	2	108.8670	0.922	2	108.8670	0.922	2	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C[5,6]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:N-3:O-1:	C(C[5,6]C[5,6]O[5]O[6])(CNO)(OC)(H)	O(CC[5,6]CH)(CC[6a]O)	C(CC[5,6]HO)(NC[6]H)(O)	C(C[5,6]C[5,6]O[5]O[6])(CNO)(OC)(H)	O(CC[5,6]CH)(CC[6a]O)	C(CC[5,6]HO)(NC[6]H)(O)	107.5800	0.000	1	107.5800	0.000	1	107.5800	0.000	1	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(C[5]C[5,5,6]C[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CCO)	C(CC[5]HO)(CCC)(H)	C(C[5]C[5,5,6]C[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CCO)	C(CC[5]HO)(CCC)(H)	114.6540	0.577	3	114.6540	0.333	3	110.8830	14.257	8	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CCH)(OC)(H)	O(CC[5]CH)(CCO)	C(CC[5]HO)(CCH)(H)	C(C[5]C[5]2H)(CCH)(OC)(H)	O(CC[5]CH)(CCO)	C(CC[5]HO)(CCH)(H)	106.0740	1.853	2	106.0740	3.432	2	110.8830	14.257	8	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CCH)(OC)(H)	O(CC[5]CH)(CC[6a]O)	C(CC[5]HO)(CHH)(H)	C(C[5]C[5]2H)(CCH)(OC)(H)	O(CC[5]CH)(CC[6a]O)	C(CC[5]HO)(CHH)(H)	110.3865	2.409	2	110.3865	5.804	2	110.8830	14.257	8	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(C[5]N[5,6,6]C[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CC[6a]O)	C(CC[5]HO)(CHO)(H)	C(C[5]N[5,6,6]C[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CC[6a]O)	C(CC[5]HO)(CHO)(H)	110.1810	0.000	1	110.1810	0.000	1	110.8830	14.257	8	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:I-1:	C(C[5]C[5]2Fe)(CCI)(OC)(H)	O(CC[5]CH)(CC[6a]O)	C(CC[5]HO)(CC[6a]P)(I)	C(C[5]C[5]2Fe)(CCI)(OC)(H)	O(CC[5]CH)(CC[6a]O)	C(CC[5]HO)(CC[6a]P)(I)	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C[6]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(C[6]C[6]2H)(CCH)(OC)(H)	O(CC[6]CH)(CC[6a]O)	C(CC[6]HO)(CSi2)(H)	C(C[6]C[6]2H)(CCH)(OC)(H)	O(CC[6]CH)(CC[6a]O)	C(CC[6]HO)(CSi2)(H)	106.4640	0.000	1	106.4640	0.000	1	106.4640	0.000	1	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:1:	C[6]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:N-3:O-1:	C(C[6]C[6]2C)(CNO)(OC)(H)	O(CC[6]CH)(CC[6a]O)	C(CC[6]HO)(NCH)(O)	C(C[6]C[6]2C)(CNO)(OC)(H)	O(CC[6]CH)(CC[6a]O)	C(CC[6]HO)(NCH)(O)	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	109.2875	5.868	48	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:2:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCHH)(CCN)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(NS)	C(CCHH)(CCN)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CCH)(NS)	106.0720	0.000	1	106.0720	0.000	1	108.6375	13.164	2	108.6375	13.164	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:3:2:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCHO)(CCN)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHN)(NN)	C(CCHO)(CCN)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CHN)(NN)	111.2030	0.000	1	111.2030	0.000	1	108.6375	13.164	2	108.6375	13.164	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:O-1:	C(CC3)(CCO)(OC)(H)	O(CCCH)(CNO)	C(CCFF)(CCHO)(O)	C(CC3)(CCO)(OC)(H)	O(CCCH)(CNO)	C(CCFF)(CCHO)(O)	109.2145	3.003	2	109.2145	9.019	2	110.2894	4.159	11	109.8908	3.332	16	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:O-1:	C(CCHH)(CCO)(OC)(H)	O(CCCH)(CCO)	C(CCHH)(CCHO)(O)	C(CCHH)(CCO)(OC)(H)	O(CCCH)(CCO)	C(CCHH)(CCHO)(O)	112.6210	0.000	1	112.6210	0.000	1	110.2894	4.159	11	109.8908	3.332	16	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:O-1:	C(CCHH)(CCO)(OC)(H)	O(CCCH)(CCO)	C(CC[5]HH)(CCHO)(O)	C(CCHH)(CCO)(OC)(H)	O(CCCH)(CCO)	C(CC[5]HH)(CCHO)(O)	107.8870	0.000	1	107.8870	0.000	1	110.2894	4.159	11	109.8908	3.332	16	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:O-1:	C(CCHH)(CCO)(OC)(H)	O(CCCH)(CNO)	C(CCFF)(CCHO)(O)	C(CCHH)(CCO)(OC)(H)	O(CCCH)(CNO)	C(CCFF)(CCHO)(O)	111.3005	2.679	2	111.3005	7.178	2	110.2894	4.159	11	109.8908	3.332	16	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:O-1:	C(CCHO)(CCO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CC3)(O)	C(CCHO)(CCO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CC3)(O)	110.6658	1.587	4	110.6658	2.519	4	110.2894	4.159	11	109.8908	3.332	16	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:O-1:	C(CC[5]HH)(CCO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CH3)(O)	C(CC[5]HH)(CCO)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CH3)(O)	108.9820	0.000	1	108.9820	0.000	1	110.2894	4.159	11	109.8908	3.332	16	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:1:	C[4]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:O-1:	C(C[4]C[4]2H)(CCO)(OC)(H)	O(CC[4]CH)(CCO)	C(CC[4]HO)(CCCH)(O)	C(C[4]C[4]2H)(CCO)(OC)(H)	O(CC[4]CH)(CCO)	C(CC[4]HO)(CCCH)(O)	108.2480	0.758	2	108.2480	0.575	2	108.2480	0.575	2	109.8908	3.332	16	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:1:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:O-1:	C(C[5]C[5]2H)(CCO)(OC)(H)	O(CC[5]CH)(CCO)	C(CC[5]HO)(CCCH)(O)	C(C[5]C[5]2H)(CCO)(OC)(H)	O(CC[5]CH)(CCO)	C(CC[5]HO)(CCCH)(O)	109.3450	0.274	2	109.3450	0.075	2	109.5247	0.134	3	109.8908	3.332	16	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:1:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:O-1:	C(C[5]C[5]O[5]H)(CCO)(OC)(H)	O(CC[5]CH)(CCO)	C(CC[5]HO)(CCHH)(O)	C(C[5]C[5]O[5]H)(CCO)(OC)(H)	O(CC[5]CH)(CCO)	C(CC[5]HO)(CCHH)(O)	109.8840	0.000	1	109.8840	0.000	1	109.5247	0.134	3	109.8908	3.332	16	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:2:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:N-2:	C(CC[6a]HH)(CCN)(OC)(H)	O(CCCH)(CHO)	C(CCHO)(CH3)(NO)	C(CC[6a]HH)(CCN)(OC)(H)	O(CCCH)(CHO)	C(CCHO)(CH3)(NO)	109.1285	0.554	2	109.1285	0.307	2	109.1285	0.307	2	109.1285	0.307	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:C-3:	C(CCCH)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CH3)(CCH)	C(CCCH)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CCHO)(CH3)(CCH)	106.6770	0.000	1	106.6770	0.000	1	109.8678	5.458	12	109.5838	3.409	25	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:C-3:	C(CCCH)(CCC)(OC)(H)	O(CCCH)(CNO)	C(CCHH)(CCHO)(CHH)	C(CCCH)(CCC)(OC)(H)	O(CCCH)(CNO)	C(CCHH)(CCHO)(CHH)	107.8280	0.474	2	107.8280	0.224	2	109.8678	5.458	12	109.5838	3.409	25	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:C-3:	C(CCHH)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CC[5]HH)(CCHO)(CHH)	C(CCHH)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CC[5]HH)(CCHO)(CHH)	109.0450	0.000	1	109.0450	0.000	1	109.8678	5.458	12	109.5838	3.409	25	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:C-3:	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CC[5]HO)(CCHO)(CHH)	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CC[5]HO)(CCHO)(CHH)	111.4107	2.636	3	111.4107	6.949	3	109.8678	5.458	12	109.5838	3.409	25	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:C-3:	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CNO)	C(CCHO)(CH3)(CCH)	C(CCHO)(CCC)(OC)(H)	O(CCCH)(CNO)	C(CCHO)(CH3)(CCH)	111.2357	1.642	4	111.2357	2.695	4	109.8678	5.458	12	109.5838	3.409	25	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:C-3:	C(CC[5]HH)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CCHH)(CCHO)(CHH)	C(CC[5]HH)(CCC)(OC)(H)	O(CCCH)(CCO)	C(CCHH)(CCHO)(CHH)	107.8610	0.000	1	107.8610	0.000	1	109.8678	5.458	12	109.5838	3.409	25	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:3:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:C-3:	C(C[5]C[5]2H)(CCC)(OC)(H)	O(CC[5]CH)(CCO)	C(CC[5]HH)(CC[5]HO)(CHH)	C(C[5]C[5]2H)(CCC)(OC)(H)	O(CC[5]CH)(CCO)	C(CC[5]HH)(CC[5]HO)(CHH)	107.4610	0.147	2	107.4610	0.022	2	109.3215	1.659	13	109.5838	3.409	25	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:3:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:C-3:	C(C[5]C[5]2H)(CCC)(OC)(H)	O(CC[5]CH)(CCO)	C(CC[5]HO)(CCHO)(CHH)	C(C[5]C[5]2H)(CCC)(OC)(H)	O(CC[5]CH)(CCO)	C(CC[5]HO)(CCHO)(CHH)	109.9690	0.925	9	109.9690	0.856	9	109.3215	1.659	13	109.5838	3.409	25	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:1:	4:3:	4:4:3:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:	C-4:C-4:C-3:	C(C[5]C[5]2H)(CCC)(OC)(H)	O(CC[5]CH)(CC[6a]O)	C(CC[5]HO)(CCHO)(CHH)	C(C[5]C[5]2H)(CCC)(OC)(H)	O(CC[5]CH)(CC[6a]O)	C(CC[5]HO)(CCHO)(CHH)	108.2685	0.356	2	108.2685	0.127	2	109.3215	1.659	13	109.5838	3.409	25	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:2:	4:3:	4:2:1:	C-4:C-3:C-2:O-2:	C-4:C-3:	C-4:O-2:O-1:	C(CCHH)(COO)(CN)(OC)	O(CC3)(CNO)	C(CCCO)(OH)(O)	C(CCHH)(COO)(CN)(OC)	O(CC3)(CNO)	C(CCCO)(OH)(O)	109.9970	0.000	1	109.9970	0.000	1	109.6495	0.242	2	109.6495	0.242	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:2:2:	4:3:	4:2:1:	C-4:C-3:C-2:O-2:	C-4:C-3:	C-4:O-2:O-1:	C(CC[6a]HN)(COO)(CN)(OC)	O(CC3)(COO)	C(CCCO)(OC)(O)	C(CC[6a]HN)(COO)(CN)(OC)	O(CC3)(COO)	C(CCCO)(OC)(O)	109.3020	0.000	1	109.3020	0.000	1	109.6495	0.242	2	109.6495	0.242	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:3:3:2:	4:3:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:C-3:	C-4:O-2:O-1:	C(CC[6a]CH)(COO)2(OC)	O(CC3)(CCO)	C(CCCO)(OC)(O)	C(CC[6a]CH)(COO)2(OC)	O(CC3)(CCO)	C(CCCO)(OC)(O)	110.1330	0.339	2	110.1330	0.115	2	110.1330	0.115	2	110.1330	0.115	2	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:4:3:2:	2:4:	4:3:1:	C-4:C-4:C-3:O-2:	N-2:C-4:	C-4:N-3:O-1:	C(CH3)2(CNO)(ON)	O(NC[5])(CC3)	C(CCCO)(NHH)(O)	C(CH3)2(CNO)(ON)	O(NC[5])(CC3)	C(CCCO)(NHH)(O)	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:4:3:2:	3:4:	4:1:1:	C-4:C-4:C-3:O-2:	C-3:C-4:	C-4:H-1:H-1:	C(CH3)2(CHH)(OC)	O(CN[5]O)(CC3)	C(CCCO)(H)2	C(CH3)2(CHH)(OC)	O(CN[5]O)(CC3)	C(CCCO)(H)2	100.8420	0.000	1	100.8420	0.000	1	100.8420	0.000	1	100.8420	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:4:3:2:	4:2:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:N-2:	C-4:O-2:O-1:	C(CH3)2(COO)(ON)	O(CC3)(NC)	C(CCCO)(OH)(O)	C(CH3)2(COO)(ON)	O(CC3)(NC)	C(CCCO)(OH)(O)	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:4:3:2:	4:3:	3:4:1:	C-4:C-4:C-3:O-2:	C-4:C-3:	C-3:C-4:H-1:	C(CCCH)(CH3)(CCH)(OC)	O(CC3)(CCO)	C(CC[6a]H)(CCCO)(H)	C(CCCH)(CH3)(CCH)(OC)	O(CC3)(CCO)	C(CC[6a]H)(CCCO)(H)	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:4:3:2:	4:3:	4:1:1:	C-4:C-4:C-3:O-2:	C-4:C-3:	C-4:H-1:H-1:	C(CH3)2(CHH)(OC)	O(CC3)(CCO)	C(CCCO)(H)2	C(CH3)2(CHH)(OC)	O(CC3)(CCO)	C(CCCO)(H)2	109.9940	0.000	1	109.9940	0.000	1	104.2030	25.152	3	104.2030	25.152	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:4:3:2:	4:3:	4:1:1:	C-4:C-4:C-3:O-2:	C-4:C-3:	C-4:H-1:H-1:	C(CH3)2(CHH)(OC)	O(CC3)(CNO)	C(CCCO)(H)2	C(CH3)2(CHH)(OC)	O(CC3)(CNO)	C(CCCO)(H)2	101.3075	0.029	2	101.3075	0.001	2	104.2030	25.152	3	104.2030	25.152	3	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:4:3:2:	4:3:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:C-3:	C-4:C-3:H-1:	C(CH3)2(CCH)(OC)	O(CC3)(CCO)	C(CCCO)(CHH)(H)	C(CH3)2(CCH)(OC)	O(CC3)(CCO)	C(CCCO)(CHH)(H)	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP2	C	O	C	4:4:3:2:	4:3:	4:4:1:	C-4:C-4:C-3:O-2:	C-4:C-3:	C-4:C-4:O-1:	C(CH3)2(CCO)(OC)	O(CC3)(CCO)	C(CC[6]HH)(CCCO)(O)	C(CH3)2(CCO)(OC)	O(CC3)(CCO)	C(CC[6]HH)(CCCO)(O)	111.8210	0.000	1	111.8210	0.000	1	111.8210	0.000	1	111.8210	0.000	1	110.1106	6.292	1518	110.1106	6.292	1518
490	893	930	0:SP3_SP2_SP3	C	O	C	2:3:1:1:	3:4:	3:4:3:	O-2:C-3:H-1:H-1:	N[6]-3:C-4:	C-3:C-4:N-3:	C(ON[6])(CCN)(H)2	O(N[6]C[6]2)(CCHH)	C(CC[6a]H)(CHHO)(NOO)	C(ON[6])(CCN)(H)2	O(N[6]C[6]2)(CCHH)	C(CC[6a]H)(CHHO)(NOO)	109.0305	2.703	2	109.0305	7.308	2	109.0305	7.308	2	109.0305	7.308	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:3:1:1:	3:4:	4:4:2:	O-2:C-3:H-1:H-1:	N[5]-3:C-4:	C-4:C-4:N-2:	C(ON[5])(CCN)(H)2	O(N[5]C[5]2)(CCHH)	C(CHHO)(CH3)(NO)	C(ON[5])(CCN)(H)2	O(N[5]C[5]2)(CCHH)	C(CHHO)(CH3)(NO)	111.2390	0.938	4	111.2390	0.879	4	111.2390	0.879	4	111.2390	0.879	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:3:1:1:	4:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6]-4:C-4:	C-3:C-4:H-1:	C(OC[6])(CCH)(H)2	O(C[6]C[5,6,6]C[6,6a]H)(CCHH)	C(CC[5]H)(CHHO)(H)	C(OC[6])(CCH)(H)2	O(C[6]C[5,6,6]C[6,6a]H)(CCHH)	C(CC[5]H)(CHHO)(H)	115.4255	0.708	2	115.4255	0.501	2	114.2677	4.272	3	112.8950	3.982	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:3:1:1:	4:4:	3:4:1:	O-2:C-3:H-1:H-1:	C[6]-4:C-4:	C-3:C-4:H-1:	C(OC[6])(CCH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(CC[6a]C)(CHHO)(H)	C(OC[6])(CCH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(CC[6a]C)(CHHO)(H)	111.9520	0.000	1	111.9520	0.000	1	114.2677	4.272	3	112.8950	3.982	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:3:1:1:	4:4:	3:4:1:	O-2:C-3:H-1:H-1:	P[6]-4:C-4:	C-3:C-4:H-1:	C(OP[6])(CCH)(H)2	O(P[6]O[6]2B)(CCHH)	C(CC[6]H)(CHHO)(H)	C(OP[6])(CCH)(H)2	O(P[6]O[6]2B)(CCHH)	C(CC[6]H)(CHHO)(H)	111.4350	0.110	2	111.4350	0.012	2	111.5223	0.029	3	112.8950	3.982	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:3:1:1:	4:4:	3:4:1:	O-2:C-3:H-1:H-1:	P[6]-4:C-4:	C-3:C-4:H-1:	C(OP[6])(CCH)(H)2	O(P[6]O[6]2O)(CCHH)	C(CC[6]H)(CHHO)(H)	C(OP[6])(CCH)(H)2	O(P[6]O[6]2O)(CCHH)	C(CC[6]H)(CHHO)(H)	111.6970	0.000	1	111.6970	0.000	1	111.5223	0.029	3	112.8950	3.982	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:3:1:1:	4:4:	4:2:1:	O-2:C-3:H-1:H-1:	C[6]-4:C-4:	C-4:C-2:H-1:	C(OC[6])(CCH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(CHHO)(CC)(H)	C(OC[6])(CCH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(CHHO)(CC)(H)	105.8460	0.000	1	105.8460	0.000	1	105.8460	0.000	1	105.8460	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:3:1:1:	4:4:	4:3:1:	O-2:C-3:H-1:H-1:	B[6,6]-4:C-4:	C-4:C-3:H-1:	C(OB[6,6])(CCH)(H)2	O(B[6,6]N[6,6]N[6]2)(CCHH)	C(CHHO)(CHH)(H)	C(OB[6,6])(CCH)(H)2	O(B[6,6]N[6,6]N[6]2)(CCHH)	C(CHHO)(CHH)(H)	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	112.1549	5.642	17	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:3:1:1:	4:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[5]-4:C-4:	C-4:C-3:H-1:	C(OC[5])(CCH)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	C(CHHO)(CCC)(H)	C(OC[5])(CCH)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	C(CHHO)(CCC)(H)	113.9780	0.000	1	113.9780	0.000	1	111.8610	8.963	2	112.1549	5.642	17	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:3:1:1:	4:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[5]-4:C-4:	C-4:C-3:H-1:	C(OC[5])(CCH)(H)2	O(C[5]C[5]N[5]C)(CCHH)	C(CHHO)(CCH)(H)	C(OC[5])(CCH)(H)2	O(C[5]C[5]N[5]C)(CCHH)	C(CHHO)(CCH)(H)	109.7440	0.000	1	109.7440	0.000	1	111.8610	8.963	2	112.1549	5.642	17	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:3:1:1:	4:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6]-4:C-4:	C-4:C-3:H-1:	C(OC[6])(CCH)(H)2	O(C[6]C[6]2H)(CCHH)	C(CHHO)(CCH)(H)	C(OC[6])(CCH)(H)2	O(C[6]C[6]2H)(CCHH)	C(CHHO)(CCH)(H)	114.4740	0.000	1	114.4740	0.000	1	110.5067	11.907	3	112.1549	5.642	17	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:3:1:1:	4:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6]-4:C-4:	C-4:C-3:H-1:	C(OC[6])(CCH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(CHHO)(CHH)(H)	C(OC[6])(CCH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(CHHO)(CHH)(H)	108.5230	0.451	2	108.5230	0.204	2	110.5067	11.907	3	112.1549	5.642	17	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:3:1:1:	4:4:	4:3:1:	O-2:C-3:H-1:H-1:	C[6]-4:C-4:	C-4:C-3:O-1:	C(OC[6])(CCO)(H)2	O(C[6]C[6]2H)(CCHH)	C(CHHO)(CCH)(O)	C(OC[6])(CCO)(H)2	O(C[6]C[6]2H)(CCHH)	C(CHHO)(CCH)(O)	118.0860	0.000	1	118.0860	0.000	1	118.0860	0.000	1	112.1549	5.642	17	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:3:1:1:	4:4:	4:3:1:	O-2:C-3:H-1:H-1:	P[6]-4:C-4:	C-4:C-3:H-1:	C(OP[6])(CCH)(H)2	O(P[6]N[6]2O)(CCHH)	C(CHHO)(CCH)(H)	C(OP[6])(CCH)(H)2	O(P[6]N[6]2O)(CCHH)	C(CHHO)(CCH)(H)	112.3807	0.845	10	112.3807	0.715	10	112.3807	0.715	10	112.1549	5.642	17	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:3:1:1:	6:4:	4:4:1:	O-2:C-3:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:	C-4:C-4:O-1:	C(OC[5x3,5x5,20x6])(CCO)(H)2	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)	C(CHHO)(CH3)(O)	C(OC[5x3,5x5,20x6])(CCO)(H)2	O(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)	C(CHHO)(CH3)(O)	113.1150	0.000	1	113.1150	0.000	1	113.1150	0.000	1	113.1150	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:4:3:1:	3:4:	3:4:1:	O-2:C-4:C-3:H-1:	N[5]-3:C-4:	N-3:C-4:O-1:	C(ON[5])(CCHH)(CNO)(H)	O(N[5]C[5]2)(CCCH)	C(NC[6a]C)(CCHO)(O)	C(ON[5])(CCHH)(CNO)(H)	O(N[5]C[5]2)(CCCH)	C(NC[6a]C)(CCHO)(O)	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:4:3:1:	3:4:	4:2:1:	O-2:C-4:C-3:H-1:	N[5]-3:C-4:	C-4:O-2:O-1:	C(ON[5])(CH3)(COO)(H)	O(N[5]C[5]2)(CCCH)	C(CCHO)(OC)(O)	C(ON[5])(CH3)(COO)(H)	O(N[5]C[5]2)(CCCH)	C(CCHO)(OC)(O)	111.7210	0.000	1	111.7210	0.000	1	111.7210	0.000	1	111.7210	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:4:3:1:	4:4:	3:4:1:	O-2:C-4:C-3:H-1:	C[4]-4:C-4:	C-3:C-4:H-1:	C(OC[4])(CH3)(CCH)(H)	O(C[4]C[6a]C[4]N[4])(CCCH)	C(CC[6a]H)(CCHO)(H)	C(OC[4])(CH3)(CCH)(H)	O(C[4]C[6a]C[4]N[4])(CCCH)	C(CC[6a]H)(CCHO)(H)	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:4:3:1:	4:4:	4:1:1:	O-2:C-4:C-3:H-1:	C[4]-4:C-4:	C-4:H-1:H-1:	C(OC[4])(CH3)(CHH)(H)	O(C[4]C[6a]C[4]O[4])(CCCH)	C(CCHO)(H)2	C(OC[4])(CH3)(CHH)(H)	O(C[4]C[6a]C[4]O[4])(CCCH)	C(CCHO)(H)2	105.9640	0.000	1	105.9640	0.000	1	105.9640	0.000	1	105.9640	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:4:3:1:	4:4:	4:2:1:	O-2:C-4:C-3:H-1:	C[6]-4:C-4:	C-4:O-2:O-1:	C(OC[6])(CH3)(COO)(H)	O(C[6]C[6]2H)(CCCH)	C(CCHO)(OC)(O)	C(OC[6])(CH3)(COO)(H)	O(C[6]C[6]2H)(CCCH)	C(CCHO)(OC)(O)	111.0150	0.000	1	111.0150	0.000	1	111.0150	0.000	1	111.0150	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:4:3:1:	4:4:	4:3:1:	O-2:C-4:C-3:H-1:	C[6]-4:C-4:	C-4:C-3:H-1:	C(OC[6])(CCHH)(CCH)(H)	O(C[6]C[6]N[6]C)(CCCH)	C(CCHO)(CCH)(H)	C(OC[6])(CCHH)(CCH)(H)	O(C[6]C[6]N[6]C)(CCCH)	C(CCHO)(CCH)(H)	110.0120	0.000	1	110.0120	0.000	1	107.0775	17.223	2	107.8460	4.414	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:4:3:1:	4:4:	4:3:1:	O-2:C-4:C-3:H-1:	C[6]-4:C-4:	C-4:C-3:H-1:	C(OC[6])(CCHO)(CCH)(H)	O(C[6]C[6]2H)(CCCH)	C(CCHO)(CCH)(H)	C(OC[6])(CCHO)(CCH)(H)	O(C[6]C[6]2H)(CCCH)	C(CCHO)(CCH)(H)	104.1430	0.000	1	104.1430	0.000	1	107.0775	17.223	2	107.8460	4.414	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:4:3:1:	4:4:	4:3:1:	O-2:C-4:C-3:H-1:	C[6]-4:C-4:	C-4:N-3:O-1:	C(OC[6])(CH3)(CNO)(H)	O(C[6]C[6]2H)(CCCH)	C(CCHO)(NCC)(O)	C(OC[6])(CH3)(CNO)(H)	O(C[6]C[6]2H)(CCCH)	C(CCHO)(NCC)(O)	108.2302	1.012	4	108.2302	1.024	4	108.2302	1.024	4	107.8460	4.414	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:4:4:3:	4:4:	4:1:1:	O-2:C-4:C-4:C-3:	C[5]-4:C-4:	C-4:H-1:H-1:	C(OC[5])(CH3)2(CHH)	O(C[5]C[5]2Fe)(CC3)	C(CCCO)(H)2	C(OC[5])(CH3)2(CHH)	O(C[5]C[5]2Fe)(CC3)	C(CCCO)(H)2	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:4:4:3:	4:4:	4:3:1:	O-2:C-4:C-4:C-3:	C[5]-4:C-4:	C-4:C-3:H-1:	C(OC[5])(CH3)2(CCH)	O(C[5]C[5]2H)(CC3)	C(CCCO)(CCH)(H)	C(OC[5])(CH3)2(CCH)	O(C[5]C[5]2H)(CC3)	C(CCCO)(CCH)(H)	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	108.9360	23.902	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	2:4:4:3:	4:4:	4:3:1:	O-2:C-4:C-4:C-3:	C[6]-4:C-4:	C-4:C-3:H-1:	C(OC[6])(CCHO)(CH3)(CCH)	O(C[6]C[6]2H)(CC3)	C(CCCO)(CHH)(H)	C(OC[6])(CCHO)(CH3)(CCH)	O(C[6]C[6]2H)(CC3)	C(CCCO)(CHH)(H)	105.4790	0.000	1	105.4790	0.000	1	105.4790	0.000	1	108.9360	23.902	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	3:4:	3:4:1:	C-3:O-2:H-1:H-1:	N[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(ON[5])(H)2	O(N[5]C[5]2)(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(ON[5])(H)2	O(N[5]C[5]2)(CCHH)	C(C[6a]C[6a]2)(CHHO)(O)	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	3:4:	4:4:3:	C-3:O-2:H-1:H-1:	N-3:C-4:	C-4:C-4:C-3:	C(CCC)(ON)(H)2	O(NC[6a]C)(CCHH)	C(CCHH)(CHHO)(CHH)	C(CCC)(ON)(H)2	O(NC[6a]C)(CCHH)	C(CCHH)(CHHO)(CHH)	110.6710	0.000	1	110.6710	0.000	1	110.6710	0.000	1	110.6710	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:3:4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-3:N-3:C-4:	C(CCN)(OH)(H)2	O(CCHH)(H)	C(CC[6a]O)(NC[6a]O)(CHHO)	C(CCN)(OH)(H)2	O(CCHH)(H)	C(CC[6a]O)(NC[6a]O)(CHHO)	110.4200	0.000	1	110.4200	0.000	1	110.4200	0.000	1	111.7473	1.778	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:3:4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[5a]-3:C-3:C-4:	C(CC[5a]C)(OH)(H)2	O(CCHH)(H)	C(C[5a]N[5a]O[5a])(CC[5a]H)(CHHO)	C(CC[5a]C)(OH)(H)2	O(CCHH)(H)	C(C[5a]N[5a]O[5a])(CC[5a]H)(CHHO)	110.8000	0.000	1	110.8000	0.000	1	110.8000	0.000	1	111.7473	1.778	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:3:4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[6]-3:C-3:C-4:	C(CC[6]C)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6]2)(CC[6a]H)(CHHO)	C(CC[6]C)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6]2)(CC[6a]H)(CHHO)	113.0960	0.000	1	113.0960	0.000	1	113.0960	0.000	1	111.7473	1.778	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:3:4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[6a]-3:C-3:C-4:	C(CC[6a]C)(OH)(H)2	O(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	C(CC[6a]C)(OH)(H)2	O(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	112.6730	0.000	1	112.6730	0.000	1	112.6730	0.000	1	111.7473	1.778	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CC[3]H)(CHHO)(H)	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CC[3]H)(CHHO)(H)	109.9450	0.000	1	109.9450	0.000	1	111.5277	4.680	10	110.8010	4.728	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CC[5]C)(CHHO)(H)	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CC[5]C)(CHHO)(H)	113.4740	0.000	1	113.4740	0.000	1	111.5277	4.680	10	110.8010	4.728	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CC[6]C)(CHHO)(H)	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CC[6]C)(CHHO)(H)	112.6240	0.000	1	112.6240	0.000	1	111.5277	4.680	10	110.8010	4.728	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CC[6]H)(CHHO)(H)	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CC[6]H)(CHHO)(H)	108.9450	0.000	1	108.9450	0.000	1	111.5277	4.680	10	110.8010	4.728	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CC[6a]C)(CHHO)(H)	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CC[6a]C)(CHHO)(H)	114.2690	2.124	2	114.2690	4.512	2	111.5277	4.680	10	110.8010	4.728	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CC[6a]C[5])(CHHO)(H)	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CC[6a]C[5])(CHHO)(H)	110.3635	1.391	2	110.3635	1.935	2	111.5277	4.680	10	110.8010	4.728	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CC[6a]H)(CHHO)(H)	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CC[6a]H)(CHHO)(H)	111.4350	0.000	1	111.4350	0.000	1	111.5277	4.680	10	110.8010	4.728	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CN[5]H)(CHHO)(H)	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CN[5]H)(CHHO)(H)	109.5890	0.000	1	109.5890	0.000	1	111.5277	4.680	10	110.8010	4.728	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[5a]-3:C-4:O-1:	C(CC[5a]O)(OH)(H)2	O(CCHH)(H)	C(C[5a]C[5a]N[5a])(CHHO)(O)	C(CC[5a]O)(OH)(H)2	O(CCHH)(H)	C(C[5a]C[5a]N[5a])(CHHO)(O)	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	110.8010	4.728	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[6]-3:C-4:H-1:	C(CC[6]H)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6]2)(CHHO)(H)	C(CC[6]H)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6]2)(CHHO)(H)	108.4195	0.622	2	108.4195	0.386	2	108.4195	0.386	2	110.8010	4.728	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[6]-3:C-4:O-1:	C(CC[6]O)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6]2)(CHHO)(O)	C(CC[6]O)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6]2)(CHHO)(O)	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	110.8010	4.728	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(OH)(H)2	O(CCHH)(H)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OH)(H)2	O(CCHH)(H)	C(C[6a]C[6a]2)(CHHO)(O)	110.7930	0.900	3	110.7930	0.811	3	110.7930	0.811	3	110.8010	4.728	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	N-3:C-4:H-1:	C(CHN)(OH)(H)2	O(CCHH)(H)	C(NC[6a]C)(CHHO)(H)	C(CHN)(OH)(H)2	O(CCHH)(H)	C(NC[6a]C)(CHHO)(H)	112.6520	0.000	1	112.6520	0.000	1	112.6520	0.000	1	110.8010	4.728	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	N-3:C-4:O-1:	C(CNO)(OH)(H)2	O(CCHH)(H)	C(NC[6a]H)(CHHO)(O)	C(CNO)(OH)(H)2	O(CCHH)(H)	C(NC[6a]H)(CHHO)(O)	113.7035	0.590	2	113.7035	0.349	2	113.7035	0.349	2	110.8010	4.728	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	N[6]-3:C-4:O-1:	C(CN[6]O)(OH)(H)2	O(CCHH)(H)	C(N[6]C[6]2)(CHHO)(O)	C(CN[6]O)(OH)(H)2	O(CCHH)(H)	C(N[6]C[6]2)(CHHO)(O)	110.0231	2.092	7	110.0231	4.376	7	110.0231	4.376	7	110.8010	4.728	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-3:C-4:B-3:	C(CBC)(OH)(H)2	O(CCHH)(H)	C(CC[6a]H)(CHHO)(BOO)	C(CBC)(OH)(H)2	O(CCHH)(H)	C(CC[6a]H)(CHHO)(BOO)	107.1430	0.000	1	107.1430	0.000	1	107.1430	0.000	1	112.2145	6.744	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-3:C-4:C-3:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[6]H)(CHHO)(COO)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[6]H)(CHHO)(COO)	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	112.2145	6.744	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[4]-3:C-4:C-3:	C(CC[4]C)(OH)(H)2	O(CCHH)(H)	C(C[4]C[4,5]C[4,6])(CHHO)(CCH)	C(CC[4]C)(OH)(H)2	O(CCHH)(H)	C(C[4]C[4,5]C[4,6])(CHHO)(CCH)	115.2620	0.000	1	115.2620	0.000	1	115.0315	0.106	2	112.2145	6.744	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[4]-3:C-4:C-3:	C(CC[4]C)(OH)(H)2	O(CCHH)(H)	C(C[4]C[4,5]C[4])(CHHO)(CCH)	C(CC[4]C)(OH)(H)2	O(CCHH)(H)	C(C[4]C[4,5]C[4])(CHHO)(CCH)	114.8010	0.000	1	114.8010	0.000	1	115.0315	0.106	2	112.2145	6.744	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OH)(H)2	O(CCHH)(H)	C(C[6a]C[6a,6a]2)(CHHO)(CSiC)	C(CC[6a]C)(OH)(H)2	O(CCHH)(H)	C(C[6a]C[6a,6a]2)(CHHO)(CSiC)	111.7425	0.418	2	111.7425	0.175	2	112.5877	4.032	6	112.2145	6.744	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OH)(H)2	O(CCHH)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OH)(H)2	O(CCHH)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	113.0102	2.439	4	113.0102	5.947	4	112.5877	4.032	6	112.2145	6.744	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[6a]-3:C-4:N-3:	C(CC[6a]N)(OH)(H)2	O(CCHH)(H)	C(C[6a]C[6a]2)(CHHO)(NCC)	C(CC[6a]N)(OH)(H)2	O(CCHH)(H)	C(C[6a]C[6a]2)(CHHO)(NCC)	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	112.2145	6.744	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-3:C-4:C-4:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[5]H)(CHHO)(CH3)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[5]H)(CHHO)(CH3)	109.4105	2.686	2	109.4105	7.216	2	112.3875	14.229	4	112.3875	14.229	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	3:4:4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-3:C-4:C-4:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[6]H)(CHHO)(CH3)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[6]H)(CHHO)(CH3)	115.3645	0.142	2	115.3645	0.020	2	112.3875	14.229	4	112.3875	14.229	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:1:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:H-1:H-1:	C(CHH)(OH)(H)2	O(CCHH)(H)	C(CHHO)(H)2	C(CHH)(OH)(H)2	O(CCHH)(H)	C(CHHO)(H)2	141.8450	0.000	1	141.8450	0.000	1	141.8450	0.000	1	116.2247	132.728	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:1:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:O-1:O-1:	C(COO)(OH)(H)2	O(CCHH)(H)	C(CHHO)(O)2	C(COO)(OH)(H)2	O(CCHH)(H)	C(CHHO)(O)2	111.9547	2.473	6	111.9547	6.114	6	111.9547	6.114	6	116.2247	132.728	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(COO)(OH)(H)2	O(CCHH)(H)	C(CHHO)(OC)(O)	C(COO)(OH)(H)2	O(CCHH)(H)	C(CHHO)(OC)(O)	113.5120	0.000	1	113.5120	0.000	1	111.9948	3.050	9	111.9948	3.050	9	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(COO)(OH)(H)2	O(CCHH)(H)	C(CHHO)(OH)(O)	C(COO)(OH)(H)2	O(CCHH)(H)	C(CHHO)(OH)(O)	111.8051	1.765	8	111.8051	3.115	8	111.9948	3.050	9	111.9948	3.050	9	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:2:2:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:O-2:O-2:	C(COO)(OH)(H)2	O(CCHH)(H)	C(CHHO)(ORh)2	C(COO)(OH)(H)2	O(CCHH)(H)	C(CHHO)(ORh)2	112.9775	0.168	2	112.9775	0.028	2	112.9775	0.028	2	112.9775	0.028	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCC)(H)	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCC)(H)	111.2488	1.629	6	111.2488	2.653	6	111.1404	2.726	10	110.6166	16.495	15	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCH)(H)	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCH)(H)	111.9087	0.590	3	111.9087	0.348	3	111.1404	2.726	10	110.6166	16.495	15	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCI)(H)	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCI)(H)	108.1850	0.000	1	108.1850	0.000	1	111.1404	2.726	10	110.6166	16.495	15	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-3:I-1:	C(CCI)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCI)(I)	C(CCI)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCI)(I)	111.8640	0.000	1	111.8640	0.000	1	112.6775	1.632	4	110.6166	16.495	15	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-3:I-1:	C(CCI)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCP)(I)	C(CCI)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCP)(I)	111.5360	0.000	1	111.5360	0.000	1	112.6775	1.632	4	110.6166	16.495	15	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-3:I-1:	C(CCI)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CHS)(I)	C(CCI)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CHS)(I)	113.6550	1.010	2	113.6550	1.020	2	112.6775	1.632	4	110.6166	16.495	15	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:N-3:H-1:	C(CHN)(OH)(H)2	O(CCHH)(H)	C(CHHO)(NCC)(H)	C(CHN)(OH)(H)2	O(CCHH)(H)	C(CHHO)(NCC)(H)	97.1346	0.000	1	97.1346	0.000	1	97.1346	0.000	1	110.6166	16.495	15	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:2:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-3:C-2:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCH)(CC)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCH)(CC)	111.3432	2.550	6	111.3432	6.504	6	111.3432	6.504	6	111.5627	5.757	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:2:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-3:O-2:	C(CCO)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCH)(OC)	C(CCO)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCH)(OC)	112.8800	0.000	1	112.8800	0.000	1	112.8800	0.000	1	111.5627	5.757	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCC)(CCH)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCC)(CCH)	112.3225	0.412	2	112.3225	0.170	2	111.9177	3.964	6	111.9177	3.964	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCH)(CCO)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCH)(CCO)	112.6850	0.000	1	112.6850	0.000	1	111.9177	3.964	6	111.9177	3.964	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCH)(COO)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CCH)(COO)	113.0650	1.054	2	113.0650	1.110	2	111.9177	3.964	6	111.9177	3.964	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CHH)(COO)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CHH)(COO)	108.0460	0.000	1	108.0460	0.000	1	111.9177	3.964	6	111.9177	3.964	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-3:C-4:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[5]HH)(CC[6]H)(CHHO)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[5]HH)(CC[6]H)(CHHO)	118.5710	0.000	1	118.5710	0.000	1	114.3820	13.783	3	113.7873	10.603	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:4:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-3:C-4:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[5]HH)(CC[6a]H)(CHHO)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[5]HH)(CC[6a]H)(CHHO)	112.2875	1.115	2	112.2875	1.243	2	114.3820	13.783	3	113.7873	10.603	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:3:4:	C-3:O-2:H-1:H-1:	C-4:H-1:	P-4:C-3:C-4:	C(CCP)(OH)(H)2	O(CCHH)(H)	C(PC[6a]2O)(CC[6a]H)(CHHO)	C(CCP)(OH)(H)2	O(CCHH)(H)	C(PC[6a]2O)(CC[6a]H)(CHHO)	112.0030	0.000	1	112.0030	0.000	1	112.0030	0.000	1	113.7873	10.603	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-4:H-1:	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CH3)(H)	C(CCH)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CH3)(H)	105.2630	0.000	1	105.2630	0.000	1	105.2630	0.000	1	112.5003	7.216	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(CCO)(OH)(H)2	O(CCHH)(H)	C(CCHH)(CHHO)(O)	C(CCO)(OH)(H)2	O(CCHH)(H)	C(CCHH)(CHHO)(O)	113.9310	0.250	2	113.9310	0.063	2	113.3150	2.409	5	112.5003	7.216	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(CCO)(OH)(H)2	O(CCHH)(H)	C(CC[6a]HH)(CHHO)(O)	C(CCO)(OH)(H)2	O(CCHH)(H)	C(CC[6a]HH)(CHHO)(O)	114.0775	0.223	2	114.0775	0.050	2	113.3150	2.409	5	112.5003	7.216	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(CCO)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CH3)(O)	C(CCO)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CH3)(O)	110.5580	0.000	1	110.5580	0.000	1	113.3150	2.409	5	112.5003	7.216	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[3]-4:C-4:O-1:	C(CC[3]O)(OH)(H)2	O(CCHH)(H)	C(C[3]C[3,6]2C)(CHHO)(O)	C(CC[3]O)(OH)(H)2	O(CCHH)(H)	C(C[3]C[3,6]2C)(CHHO)(O)	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	112.5003	7.216	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[5,5]-4:C-4:O-1:	C(CC[5,5]O)(OH)(H)2	O(CCHH)(H)	C(C[5,5]C[5,5]C[5,6]O[5])(CHHO)(O)	C(CC[5,5]O)(OH)(H)2	O(CCHH)(H)	C(C[5,5]C[5,5]C[5,6]O[5])(CHHO)(O)	111.2830	0.000	1	111.2830	0.000	1	111.2830	0.000	1	112.5003	7.216	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[5]-4:C-4:O-1:	C(CC[5]O)(OH)(H)2	O(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CHHO)(O)	C(CC[5]O)(OH)(H)2	O(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CHHO)(O)	113.4640	1.379	4	113.4640	1.901	4	112.1141	3.349	10	112.5003	7.216	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[5]-4:C-4:O-1:	C(CC[5]O)(OH)(H)2	O(CCHH)(H)	C(C[5]C[5,6]C[5]O)(CHHO)(O)	C(CC[5]O)(OH)(H)2	O(CCHH)(H)	C(C[5]C[5,6]C[5]O)(CHHO)(O)	111.2142	1.568	6	111.2142	2.458	6	112.1141	3.349	10	112.5003	7.216	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[6]-4:C-4:O-1:	C(CC[6]O)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6]2C)(CHHO)(O)	C(CC[6]O)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6]2C)(CHHO)(O)	115.3252	1.833	4	115.3252	3.359	4	114.2475	8.835	6	112.5003	7.216	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[6]-4:C-4:O-1:	C(CC[6]O)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6]2O)(CHHO)(O)	C(CC[6]O)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6]2O)(CHHO)(O)	112.0920	4.490	2	112.0920	20.161	2	114.2475	8.835	6	112.5003	7.216	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CCHH)(CHHO)(CCH)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CCHH)(CHHO)(CCH)	114.3290	0.000	1	114.3290	0.000	1	111.8509	5.345	9	112.4467	4.303	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[5]CO)(CHHO)(CHH)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[5]CO)(CHHO)(CHH)	114.0340	0.000	1	114.0340	0.000	1	111.8509	5.345	9	112.4467	4.303	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[5]HO)(CHHO)(CCH)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[5]HO)(CHHO)(CCH)	112.9820	0.000	1	112.9820	0.000	1	111.8509	5.345	9	112.4467	4.303	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[6a]HH)(CHHO)(CCH)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CC[6a]HH)(CHHO)(CCH)	113.7980	0.000	1	113.7980	0.000	1	111.8509	5.345	9	112.4467	4.303	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CH3)(CCH)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CHHO)(CH3)(CCH)	110.3893	1.731	3	110.3893	2.997	3	111.8509	5.345	9	112.4467	4.303	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CHHO)2(CCH)	C(CCC)(OH)(H)2	O(CCHH)(H)	C(CHHO)2(CCH)	110.1735	2.958	2	110.1735	8.749	2	111.8509	5.345	9	112.4467	4.303	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C-4:C-4:N-3:	C(CCN)(OH)(H)2	O(CCHH)(H)	C(CHHO)2(NPtO)	C(CCN)(OH)(H)2	O(CCHH)(H)	C(CHHO)2(NPtO)	109.9210	0.000	1	109.9210	0.000	1	109.9210	0.000	1	112.4467	4.303	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[5]-4:C-4:C-3:	C(CC[5]C)(OH)(H)2	O(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CHHO)(CHH)	C(CC[5]C)(OH)(H)2	O(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CHHO)(CHH)	110.9130	0.000	1	110.9130	0.000	1	112.2963	1.468	3	112.4467	4.303	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[5]-4:C-4:C-3:	C(CC[5]C)(OH)(H)2	O(CCHH)(H)	C(C[5]C[5]2H)(CHHO)(CCH)	C(CC[5]C)(OH)(H)2	O(CCHH)(H)	C(C[5]C[5]2H)(CHHO)(CCH)	112.8060	0.000	1	112.8060	0.000	1	112.2963	1.468	3	112.4467	4.303	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[5]-4:C-4:C-3:	C(CC[5]C)(OH)(H)2	O(CCHH)(H)	C(C[5]C[5]2H)(CHHO)(CHH)	C(CC[5]C)(OH)(H)2	O(CCHH)(H)	C(C[5]C[5]2H)(CHHO)(CHH)	113.1700	0.000	1	113.1700	0.000	1	112.2963	1.468	3	112.4467	4.303	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[6]-4:C-4:C-3:	C(CC[6]C)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CHHO)(CHH)	C(CC[6]C)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CHHO)(CHH)	114.7230	1.022	2	114.7230	1.045	2	114.1144	0.977	5	112.4467	4.303	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[6]-4:C-4:C-3:	C(CC[6]C)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(CCH)	C(CC[6]C)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6]2H)(CHHO)(CCH)	114.1085	0.817	2	114.1085	0.667	2	114.1144	0.977	5	112.4467	4.303	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:1:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:H-1:	C[6]-4:C-4:C-3:	C(CC[6]C)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(CCH)	C(CC[6]C)(OH)(H)2	O(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(CCH)	112.9090	0.000	1	112.9090	0.000	1	114.1144	0.977	5	112.4467	4.303	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:3:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:N-3:	N-3:C-4:O-1:	C(CNO)(ON)(H)2	O(CCHH)(NOO)	C(NC[5]H)(CHHO)(O)	C(CNO)(ON)(H)2	O(CCHH)(NOO)	C(NC[5]H)(CHHO)(O)	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:3:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:N-3:	C-4:O-2:O-1:	C(COO)(ON)(H)2	O(CCHH)(NCH)	C(CHHO)(OH)(O)	C(COO)(ON)(H)2	O(CCHH)(NCH)	C(CHHO)(OH)(O)	113.3410	0.000	1	113.3410	0.000	1	114.1330	1.255	2	114.1330	1.255	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:3:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:N-3:	C-4:O-2:O-1:	C(COO)(ON)(H)2	O(CCHH)(NPdC)	C(CHHO)(OPd)(O)	C(COO)(ON)(H)2	O(CCHH)(NPdC)	C(CHHO)(OPd)(O)	114.9250	0.000	1	114.9250	0.000	1	114.1330	1.255	2	114.1330	1.255	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:3:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:N-3:	C-4:N-3:O-1:	C(CNO)(ON)(H)2	O(CCHH)(NCH)	C(CHHO)(NCH)(O)	C(CNO)(ON)(H)2	O(CCHH)(NCH)	C(CHHO)(NCH)(O)	115.7770	0.000	1	115.7770	0.000	1	115.6202	0.221	4	115.6202	0.221	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:3:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:N-3:	C-4:N-3:O-1:	C(CNO)(ON)(H)2	O(CCHH)(NCH)	C(CHHO)(NHN)(O)	C(CNO)(ON)(H)2	O(CCHH)(NCH)	C(CHHO)(NHN)(O)	115.5680	0.561	3	115.5680	0.315	3	115.6202	0.221	4	115.6202	0.221	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:3:	4:3:4:	C-3:O-2:H-1:H-1:	C-4:N-3:	C-4:N-3:C-4:	C(CCN)(ON)(H)2	O(CCHH)(NFeC)	C(CHHO)(NFeO)(CH3)	C(CCN)(ON)(H)2	O(CCHH)(NFeC)	C(CHHO)(NFeO)(CH3)	113.8132	2.064	4	113.8132	4.261	4	114.5726	5.046	12	114.5726	5.046	12	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:3:	4:3:4:	C-3:O-2:H-1:H-1:	C-4:N-3:	C-4:N-3:C-4:	C(CCN)(ON)(H)2	O(CCHH)(NNiC)	C(CHHO)(NNiO)(CH3)	C(CCN)(ON)(H)2	O(CCHH)(NNiC)	C(CHHO)(NNiO)(CH3)	115.4347	2.313	6	115.4347	5.348	6	114.5726	5.046	12	114.5726	5.046	12	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:3:	4:3:4:	C-3:O-2:H-1:H-1:	C-4:N-3:	C-4:N-3:C-4:	C(CCN)(ON)(H)2	O(CCHH)(NPdC)	C(CHHO)(NPdO)(CH3)	C(CCN)(ON)(H)2	O(CCHH)(NPdC)	C(CHHO)(NPdO)(CH3)	113.5050	2.635	2	113.5050	6.942	2	114.5726	5.046	12	114.5726	5.046	12	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	2:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	O-2:C-4:H-1:	C(CHO)(OC)(H)2	O(CCHH)2	C(OC[4])(CHHO)(H)	C(CHO)(OC)(H)2	O(CCHH)2	C(OC[4])(CHHO)(H)	115.1240	0.000	1	115.1240	0.000	1	110.3060	10.569	4	112.3808	11.115	15	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	2:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	O-2:C-4:H-1:	C(CHO)(OC)(H)2	O(CCHH)2	C(OC[6a])(CHHO)(H)	C(CHO)(OC)(H)2	O(CCHH)2	C(OC[6a])(CHHO)(H)	108.7000	0.615	3	108.7000	0.378	3	110.3060	10.569	4	112.3808	11.115	15	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	2:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	O-2:C-4:O-1:	C(COO)(OC)(H)2	O(CC[6]HH)(CCHH)	C(OC[6])(CHHO)(O)	C(COO)(OC)(H)2	O(CC[6]HH)(CCHH)	C(OC[6])(CHHO)(O)	113.1942	3.334	10	113.1942	11.116	10	113.1353	10.042	11	112.3808	11.115	15	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	2:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	O-2:C-4:O-1:	C(COO)(OC)(H)2	O(CC[6a]HH)(CCHH)	C(OC[5])(CHHO)(O)	C(COO)(OC)(H)2	O(CC[6a]HH)(CCHH)	C(OC[5])(CHHO)(O)	112.5460	0.000	1	112.5460	0.000	1	113.1353	10.042	11	112.3808	11.115	15	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:2:4:	C-3:O-2:H-1:H-1:	C-4:C-4:	N[5a]-3:N-2:C-4:	C(CN[5a]N)(OC)(H)2	O(CCHH)2	C(N[5a]C[5a]2)(NC[6a])(CHHO)	C(CN[5a]N)(OC)(H)2	O(CCHH)2	C(N[5a]C[5a]2)(NC[6a])(CHHO)	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:3:4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C[6a]-3:C-3:C-4:	C(CC[6a]C)(OC)(H)2	O(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]S)(CHHO)	C(CC[6a]C)(OC)(H)2	O(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]S)(CHHO)	112.5950	0.000	1	112.5950	0.000	1	111.2190	3.787	2	111.2190	3.787	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:3:4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C[6a]-3:C-3:C-4:	C(CC[6a]C)(OC)(H)2	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	C(CC[6a]C)(OC)(H)2	O(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	109.8430	0.000	1	109.8430	0.000	1	111.2190	3.787	2	111.2190	3.787	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-3:C-4:H-1:	C(CCH)(OC)(H)2	O(CC[6a]2C[6])(CCHH)	C(CC[6a]C[6])(CHHO)(H)	C(CCH)(OC)(H)2	O(CC[6a]2C[6])(CCHH)	C(CC[6a]C[6])(CHHO)(H)	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	111.3983	1.527	94	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-3:C-4:I-1:	C(CCI)(OC)(H)2	O(CCHH)(CH3)	C(CC[6a]I)(CHHO)(I)	C(CCI)(OC)(H)2	O(CCHH)(CH3)	C(CC[6a]I)(CHHO)(I)	108.5540	0.000	1	108.5540	0.000	1	108.5540	0.000	1	111.3983	1.527	94	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-3:C-4:O-1:	C(CCO)(OC)(H)2	O(CCHH)2	C(CC[5]2)(CHHO)(O)	C(CCO)(OC)(H)2	O(CCHH)2	C(CC[5]2)(CHHO)(O)	112.8000	0.000	2	112.8000	0.000	2	112.8000	0.000	2	111.3983	1.527	94	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C[4]-3:C-4:H-1:	C(CC[4]H)(OC)(H)2	O(CCHH)2	C(C[4]C[4]2)(CHHO)(H)	C(CC[4]H)(OC)(H)2	O(CCHH)2	C(C[4]C[4]2)(CHHO)(H)	110.7570	0.969	3	110.7570	0.939	3	110.7570	0.939	3	111.3983	1.527	94	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C[5]-3:C-4:H-1:	C(CC[5]H)(OC)(H)2	O(CCHH)(CH3)	C(C[5]C[5]O[5])(CHHO)(H)	C(CC[5]H)(OC)(H)2	O(CCHH)(CH3)	C(C[5]C[5]O[5])(CHHO)(H)	110.4090	0.000	1	110.4090	0.000	1	109.2875	2.516	2	111.3983	1.527	94	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C[5]-3:C-4:H-1:	C(CC[5]H)(OC)(H)2	O(CC[6a]HH)(CCHH)	C(C[5]C[5]O[5])(CHHO)(H)	C(CC[5]H)(OC)(H)2	O(CC[6a]HH)(CCHH)	C(C[5]C[5]O[5])(CHHO)(H)	108.1660	0.000	1	108.1660	0.000	1	109.2875	2.516	2	111.3983	1.527	94	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C[5a]-3:C-4:H-1:	C(CC[5a]H)(OC)(H)2	O(CCHH)(CH3)	C(C[5a]C[5a,6a]O[5a])(CHHO)(H)	C(CC[5a]H)(OC)(H)2	O(CCHH)(CH3)	C(C[5a]C[5a,6a]O[5a])(CHHO)(H)	113.2220	0.000	1	113.2220	0.000	1	113.2220	0.000	1	111.3983	1.527	94	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(OC)(H)2	O(CCHH)(CH3)	C(C[6a]C[6a]2)(CHHO)(O)	C(CC[6a]O)(OC)(H)2	O(CCHH)(CH3)	C(C[6a]C[6a]2)(CHHO)(O)	108.8250	0.000	1	108.8250	0.000	1	108.8250	0.000	1	111.3983	1.527	94	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	N-3:C-4:O-1:	C(CNO)(OC)(H)2	O(CCHH)(CH3)	C(NC[6]H)(CHHO)(O)	C(CNO)(OC)(H)2	O(CCHH)(CH3)	C(NC[6]H)(CHHO)(O)	113.2980	2.953	2	113.2980	8.719	2	112.0236	2.570	21	111.3983	1.527	94	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	N-3:C-4:O-1:	C(CNO)(OC)(H)2	O(CCHH)(CH3)	C(NC[6a]C)(CHHO)(O)	C(CNO)(OC)(H)2	O(CCHH)(CH3)	C(NC[6a]C)(CHHO)(O)	113.4870	0.000	1	113.4870	0.000	1	112.0236	2.570	21	111.3983	1.527	94	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	N-3:C-4:O-1:	C(CNO)(OC)(H)2	O(CCHH)(CH3)	C(NC[6a]H)(CHHO)(O)	C(CNO)(OC)(H)2	O(CCHH)(CH3)	C(NC[6a]H)(CHHO)(O)	111.2653	0.812	3	111.2653	0.659	3	112.0236	2.570	21	111.3983	1.527	94	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	N-3:C-4:O-1:	C(CNO)(OC)(H)2	O(CCHH)2	C(NC[5a]H)(CHHO)(O)	C(CNO)(OC)(H)2	O(CCHH)2	C(NC[5a]H)(CHHO)(O)	112.3960	0.000	1	112.3960	0.000	1	112.0236	2.570	21	111.3983	1.527	94	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	N-3:C-4:O-1:	C(CNO)(OC)(H)2	O(CCHH)2	C(NC[6a]C)(CHHO)(O)	C(CNO)(OC)(H)2	O(CCHH)2	C(NC[6a]C)(CHHO)(O)	111.5550	2.231	6	111.5550	4.977	6	112.0236	2.570	21	111.3983	1.527	94	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	N-3:C-4:O-1:	C(CNO)(OC)(H)2	O(CCHH)2	C(NC[6a]H)(CHHO)(O)	C(CNO)(OC)(H)2	O(CCHH)2	C(NC[6a]H)(CHHO)(O)	112.1114	1.059	8	112.1114	1.121	8	112.0236	2.570	21	111.3983	1.527	94	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:1:	C-3:O-2:H-1:H-1:	C[6]-4:C-4:	C[6]-3:C-4:H-1:	C(CC[6]H)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C(C[6]C[6,6]C[6])(CHHO)(H)	C(CC[6]H)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C(C[6]C[6,6]C[6])(CHHO)(H)	111.2718	0.832	62	111.2718	0.692	62	111.2718	0.692	62	111.3983	1.527	94	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:3:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-3:C-4:C-3:	C(CCC)(OC)(H)2	O(CCHH)2	C(CC[6a]C)(CHHO)(COO)	C(CCC)(OC)(H)2	O(CCHH)2	C(CC[6a]C)(CHHO)(COO)	110.5890	0.000	1	110.5890	0.000	1	110.5890	0.000	1	112.1211	1.685	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:3:	C-3:O-2:H-1:H-1:	C-4:C-4:	C[5a]-3:C-4:C-3:	C(CC[5a]C)(OC)(H)2	O(CC[6a]CH)(CCHH)	C(C[5a]C[5a]O[5a])(CHHO)(CCH)	C(CC[5a]C)(OC)(H)2	O(CC[6a]CH)(CCHH)	C(C[5a]C[5a]O[5a])(CHHO)(CCH)	112.4410	0.000	1	112.4410	0.000	1	112.4410	0.000	1	112.1211	1.685	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:3:	C-3:O-2:H-1:H-1:	C-4:C-4:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OC)(H)2	O(CCHH)2	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC)(H)2	O(CCHH)2	C(C[6a]C[6a]2)(CHHO)(CCH)	113.8110	2.338	2	113.8110	5.465	2	113.1490	2.665	4	112.1211	1.685	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:3:	C-3:O-2:H-1:H-1:	C-4:C-4:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OC)(H)2	O(CC[5a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC)(H)2	O(CC[5a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CCH)	111.8640	0.000	1	111.8640	0.000	1	113.1490	2.665	4	112.1211	1.685	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:3:	C-3:O-2:H-1:H-1:	C-4:C-4:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OC)(H)2	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC)(H)2	O(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CCH)	113.1100	0.000	1	113.1100	0.000	1	113.1490	2.665	4	112.1211	1.685	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:3:	C-3:O-2:H-1:H-1:	C[6]-4:C-4:	C[5a]-3:C-4:C-3:	C(CC[5a]C)(OC[6])(H)2	O(C[6]C[6a]C[6]2)(CCHH)	C(C[5a]C[5a]N[5a])(CHHO)(CHH)	C(CC[5a]C)(OC[6])(H)2	O(C[6]C[6a]C[6]2)(CCHH)	C(C[5a]C[5a]N[5a])(CHHO)(CHH)	111.2770	0.000	1	111.2770	0.000	1	111.2770	0.000	1	112.1211	1.685	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:3:	C-3:O-2:H-1:H-1:	C[6]-4:C-4:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[5,6]O[6]H)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[5,6]O[6]H)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CCH)	111.9547	0.923	3	111.9547	0.851	3	111.7785	0.827	6	112.1211	1.685	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:3:	C-3:O-2:H-1:H-1:	C[6]-4:C-4:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[6,6a]N[6]H)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[6,6a]N[6]H)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CCH)	110.9965	0.204	2	110.9965	0.042	2	111.7785	0.827	6	112.1211	1.685	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:3:	C-3:O-2:H-1:H-1:	C[6]-4:C-4:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	C(C[6a]C[6a]2)(CHHO)(CCH)	112.8140	0.000	1	112.8140	0.000	1	111.7785	0.827	6	112.1211	1.685	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	3:4:4:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-3:C-4:C-4:	C(CCC)(OC)(H)2	O(CN[6a]HH)(CCHH)	C(CC[6a]H)(CHHO)(CH3)	C(CCC)(OC)(H)2	O(CN[6a]HH)(CCHH)	C(CC[6a]H)(CHHO)(CH3)	112.7030	4.004	2	112.7030	16.029	2	112.7030	16.029	2	112.7030	16.029	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:1:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:H-1:H-1:	C(CHH)(OC)(H)2	O(CCHH)(CH3)	C(CHHO)(H)2	C(CHH)(OC)(H)2	O(CCHH)(CH3)	C(CHHO)(H)2	113.0260	0.000	1	113.0260	0.000	1	107.5531	143.133	11	109.7861	57.817	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:1:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:H-1:H-1:	C(CHH)(OC)(H)2	O(CCHH)2	C(CHHO)(H)2	C(CHH)(OC)(H)2	O(CCHH)2	C(CHHO)(H)2	107.0058	12.465	10	107.0058	155.376	10	107.5531	143.133	11	109.7861	57.817	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:1:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:O-1:O-1:	C(COO)(OC)(H)2	O(CCHH)2	C(CHHO)(O)2	C(COO)(OC)(H)2	O(CCHH)2	C(CHHO)(O)2	111.3673	1.816	11	111.3673	3.300	11	111.3673	3.300	11	109.7861	57.817	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:1:1:	C-3:O-2:H-1:H-1:	C-4:P-4:	C-4:O-1:O-1:	C(COO)(OP)(H)2	O(CCHH)(PO3)	C(CHHO)(O)2	C(COO)(OP)(H)2	O(CCHH)(PO3)	C(CHHO)(O)2	110.9810	1.078	6	110.9810	1.162	6	110.9810	1.162	6	109.7861	57.817	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:O-2:H-1:	C(CHO)(OC)(H)2	O(CCHH)2	C(CHHO)(OC)(H)	C(CHO)(OC)(H)2	O(CCHH)2	C(CHHO)(OC)(H)	111.6883	4.694	9	111.6883	22.032	9	111.6883	22.032	9	111.3143	9.672	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(COO)(OC)(H)2	O(CCCH)(CCHH)	C(CHHO)(OH)(O)	C(COO)(OC)(H)2	O(CCCH)(CCHH)	C(CHHO)(OH)(O)	114.4930	0.000	1	114.4930	0.000	1	111.0466	4.719	18	111.3143	9.672	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(COO)(OC)(H)2	O(CCHH)(CH3)	C(CHHO)(OC)(O)	C(COO)(OC)(H)2	O(CCHH)(CH3)	C(CHHO)(OC)(O)	111.4750	0.000	1	111.4750	0.000	1	111.0466	4.719	18	111.3143	9.672	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(COO)(OC)(H)2	O(CCHH)(CH3)	C(CHHO)(ORu)(O)	C(COO)(OC)(H)2	O(CCHH)(CH3)	C(CHHO)(ORu)(O)	115.0020	0.000	1	115.0020	0.000	1	111.0466	4.719	18	111.3143	9.672	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(COO)(OC)(H)2	O(CCHH)2	C(CHHO)(OC)(O)	C(COO)(OC)(H)2	O(CCHH)2	C(CHHO)(OC)(O)	110.8710	2.117	3	110.8710	4.480	3	111.0466	4.719	18	111.3143	9.672	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(COO)(OC)(H)2	O(CCHH)2	C(CHHO)(OH)(O)	C(COO)(OC)(H)2	O(CCHH)2	C(CHHO)(OH)(O)	110.4380	1.883	12	110.4380	3.547	12	111.0466	4.719	18	111.3143	9.672	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:2:1:	C-3:O-2:H-1:H-1:	C-4:P-4:	C-4:O-2:O-1:	C(COO)(OP)(H)2	O(CCHH)(PO3)	C(CHHO)(OH)(O)	C(COO)(OP)(H)2	O(CCHH)(PO3)	C(CHHO)(OH)(O)	112.7650	0.000	1	112.7650	0.000	1	112.7650	0.000	1	111.3143	9.672	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CCCH)(CCHH)	C(CHHO)(CCH)(H)	C(CCH)(OC)(H)2	O(CCCH)(CCHH)	C(CHHO)(CCH)(H)	113.3490	0.000	1	113.3490	0.000	1	110.1517	7.639	45	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CCCH)(CCHH)	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CCCH)(CCHH)	C(CHHO)(CHH)(H)	113.6150	0.000	1	113.6150	0.000	1	110.1517	7.639	45	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CCHH)(CCHO)	C(CHHO)(CCH)(H)	C(CCH)(OC)(H)2	O(CCHH)(CCHO)	C(CHHO)(CCH)(H)	112.4815	1.732	2	112.4815	2.999	2	110.1517	7.639	45	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CCHH)2	C(CHHO)(CCH)(H)	C(CCH)(OC)(H)2	O(CCHH)2	C(CHHO)(CCH)(H)	109.6186	2.656	27	109.6186	7.054	27	110.1517	7.639	45	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CCHH)2	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CCHH)2	C(CHHO)(CHH)(H)	111.0016	2.386	5	111.0016	5.695	5	110.1517	7.639	45	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CC[3]HH)(CCHH)	C(CHHO)(CCH)(H)	C(CCH)(OC)(H)2	O(CC[3]HH)(CCHH)	C(CHHO)(CCH)(H)	107.3660	0.000	1	107.3660	0.000	1	110.1517	7.639	45	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CC[5]C[6]H)(CCHH)	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CC[5]C[6]H)(CCHH)	C(CHHO)(CHH)(H)	109.5460	3.449	2	109.5460	11.897	2	110.1517	7.639	45	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CC[6]HH)(CCHH)	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CC[6]HH)(CCHH)	C(CHHO)(CHH)(H)	105.7110	0.000	1	105.7110	0.000	1	110.1517	7.639	45	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CC[6a]CH)(CCHH)	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CC[6a]CH)(CCHH)	C(CHHO)(CHH)(H)	114.7700	0.000	1	114.7700	0.000	1	110.1517	7.639	45	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CC[6a]HH)(CCHH)	C(CHHO)(CCH)(H)	C(CCH)(OC)(H)2	O(CC[6a]HH)(CCHH)	C(CHHO)(CCH)(H)	112.7905	1.535	2	112.7905	2.357	2	110.1517	7.639	45	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCH)(OC)(H)2	O(CC[6a]HH)(CCHH)	C(CHHO)(CHH)(H)	C(CCH)(OC)(H)2	O(CC[6a]HH)(CCHH)	C(CHHO)(CHH)(H)	108.8360	1.179	2	108.8360	1.391	2	110.1517	7.639	45	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:O-1:	C(CCO)(OC)(H)2	O(CCCH)(CCHH)	C(CHHO)(CCH)(O)	C(CCO)(OC)(H)2	O(CCCH)(CCHH)	C(CHHO)(CCH)(O)	116.5370	0.000	1	116.5370	0.000	1	116.4460	0.017	2	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:O-1:	C(CCO)(OC)(H)2	O(CCHH)2	C(CHHO)(CCH)(O)	C(CCO)(OC)(H)2	O(CCHH)2	C(CHHO)(CCH)(O)	116.3550	0.000	1	116.3550	0.000	1	116.4460	0.017	2	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:N-3:O-1:	C(CNO)(OC)(H)2	O(CCHH)(CH3)	C(CHHO)(NCC)(O)	C(CNO)(OC)(H)2	O(CCHH)(CH3)	C(CHHO)(NCC)(O)	111.5134	3.079	8	111.5134	9.482	8	110.5727	8.902	12	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:N-3:O-1:	C(CNO)(OC)(H)2	O(CCHH)(CH3)	C(CHHO)(NCS)(O)	C(CNO)(OC)(H)2	O(CCHH)(CH3)	C(CHHO)(NCS)(O)	107.9535	0.552	2	107.9535	0.305	2	110.5727	8.902	12	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:N-3:O-1:	C(CNO)(OC)(H)2	O(CCHH)2	C(CHHO)(NCC)(O)	C(CNO)(OC)(H)2	O(CCHH)2	C(CHHO)(NCC)(O)	109.4290	2.799	2	109.4290	7.833	2	110.5727	8.902	12	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	C-4:P-4:	C-4:C-3:H-1:	C(CCH)(OP)(H)2	O(CCHH)(PCHW)	C(CHHO)(CHH)(H)	C(CCH)(OP)(H)2	O(CCHH)(PCHW)	C(CHHO)(CHH)(H)	109.6780	0.103	2	109.6780	0.011	2	109.6780	0.011	2	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	P-4:C-4:	C-4:C-3:H-1:	C(CCH)(OP)(H)2	O(PCrCH)(CCHH)	C(CHHO)(CHH)(H)	C(CCH)(OP)(H)2	O(PCrCH)(CCHH)	C(CHHO)(CHH)(H)	110.4300	0.000	1	110.4300	0.000	1	110.3810	0.005	2	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:1:	C-3:O-2:H-1:H-1:	P-4:C-4:	C-4:C-3:H-1:	C(CCH)(OP)(H)2	O(PMoCH)(CCHH)	C(CHHO)(CHH)(H)	C(CCH)(OP)(H)2	O(PMoCH)(CCHH)	C(CHHO)(CHH)(H)	110.3320	0.000	1	110.3320	0.000	1	110.3810	0.005	2	110.4240	8.247	63	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:3:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:C-3:	C(CCC)(OC)(H)2	O(CCCO)(CCHH)	C(CHHO)(CCC)(CCH)	C(CCC)(OC)(H)2	O(CCCO)(CCHH)	C(CHHO)(CCC)(CCH)	110.1975	0.740	4	110.1975	0.547	4	109.6553	1.623	7	109.6553	1.623	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:3:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:C-3:	C(CCC)(OC)(H)2	O(CCHH)2	C(CHHO)(CHH)(COO)	C(CCC)(OC)(H)2	O(CCHH)2	C(CHHO)(CHH)(COO)	109.8715	0.243	2	109.8715	0.059	2	109.6553	1.623	7	109.6553	1.623	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:3:3:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-3:C-3:	C(CCC)(OC)(H)2	O(CC[6a]3)(CCHH)	C(CHHO)(CCH)(CCO)	C(CCC)(OC)(H)2	O(CC[6a]3)(CCHH)	C(CHHO)(CCH)(CCO)	107.0540	0.000	1	107.0540	0.000	1	109.6553	1.623	7	109.6553	1.623	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:O-1:	C(CCO)(OC)(H)2	O(CCHH)2	C(CC[6a]HH)(CHHO)(O)	C(CCO)(OC)(H)2	O(CCHH)2	C(CC[6a]HH)(CHHO)(O)	112.3575	1.507	2	112.3575	2.271	2	110.9221	2.837	8	111.3428	6.055	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:O-1:	C(CCO)(OC)(H)2	O(CC[6a]CH)(CCHH)	C(CHHO)2(O)	C(CCO)(OC)(H)2	O(CC[6a]CH)(CCHH)	C(CHHO)2(O)	110.4437	1.555	6	110.4437	2.419	6	110.9221	2.837	8	111.3428	6.055	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:C-4:	C[5]-4:C-4:O-1:	C(CC[5]O)(OC)(H)2	O(CCHH)(CH3)	C(C[5]C[5,5]O[5]O)(CHHO)(O)	C(CC[5]O)(OC)(H)2	O(CCHH)(CH3)	C(C[5]C[5,5]O[5]O)(CHHO)(O)	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	111.3428	6.055	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:4:1:	C-3:O-2:H-1:H-1:	C-4:S-4:	C-4:C-4:H-1:	C(CCH)(OS)(H)2	O(CCHH)(SO3)	C(CCHH)(CHHO)(H)	C(CCH)(OS)(H)2	O(CCHH)(SO3)	C(CCHH)(CHHO)(H)	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	111.3428	6.055	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:4:1:	C-3:O-2:H-1:H-1:	C[5]-4:C-4:	C[5]-4:C-4:O-1:	C(CC[5]O)(OC[5])(H)2	O(C[5]C[5,5]O[5]O)(CCHH)	C(C[5]C[5]2Cl)(CHHO)(O)	C(CC[5]O)(OC[5])(H)2	O(C[5]C[5,5]O[5]O)(CCHH)	C(C[5]C[5]2Cl)(CHHO)(O)	118.0120	0.000	1	118.0120	0.000	1	118.0120	0.000	1	111.3428	6.055	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:4:1:	C-3:O-2:H-1:H-1:	S-4:C-4:	C-4:C-4:O-1:	C(CCO)(OS)(H)2	O(SC[6a]OO)(CCHH)	C(CBrHH)(CHHO)(O)	C(CCO)(OS)(H)2	O(SC[6a]OO)(CCHH)	C(CBrHH)(CHHO)(O)	110.1570	0.000	1	110.1570	0.000	1	110.1595	0.000	2	111.3428	6.055	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:4:1:	C-3:O-2:H-1:H-1:	S-4:C-4:	C-4:C-4:O-1:	C(CCO)(OS)(H)2	O(SC[6a]OO)(CCHH)	C(CClHH)(CHHO)(O)	C(CCO)(OS)(H)2	O(SC[6a]OO)(CCHH)	C(CClHH)(CHHO)(O)	110.1620	0.000	1	110.1620	0.000	1	110.1595	0.000	2	111.3428	6.055	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:C-3:	C(CCC)(OC)(H)2	O(CCHH)(CC3)	C(CCHH)(CHHO)(CCH)	C(CCC)(OC)(H)2	O(CCHH)(CC3)	C(CCHH)(CHHO)(CCH)	115.7583	0.286	3	115.7583	0.082	3	113.7843	7.679	6	113.6880	5.539	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:C-3:	C(CCC)(OC)(H)2	O(CCHH)2	C(CCHH)(CHHO)(CHH)	C(CCC)(OC)(H)2	O(CCHH)2	C(CCHH)(CHHO)(CHH)	114.8230	0.000	1	114.8230	0.000	1	113.7843	7.679	6	113.6880	5.539	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:C-3:	C(CCC)(OC)(H)2	O(CC[6a]HH)(CCHH)	C(CCHO)(CHHO)(CHH)	C(CCC)(OC)(H)2	O(CC[6a]HH)(CCHH)	C(CCHO)(CHHO)(CHH)	109.5170	0.000	1	109.5170	0.000	1	113.7843	7.679	6	113.6880	5.539	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:C-4:	C-4:C-4:C-3:	C(CCC)(OC)(H)2	O(CN[6a]HH)(CCHH)	C(CHHO)(CH3)(CHH)	C(CCC)(OC)(H)2	O(CN[6a]HH)(CCHH)	C(CHHO)(CH3)(CHH)	111.0910	0.000	1	111.0910	0.000	1	113.7843	7.679	6	113.6880	5.539	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	4:4:	4:4:3:	C-3:O-2:H-1:H-1:	C-4:Si-4:	C-4:C-4:C-3:	C(CCC)(OSi)(H)2	O(CCHH)(SiC3)	C(CCCH)(CHHO)(CHH)	C(CCC)(OSi)(H)2	O(CCHH)(SiC3)	C(CCCH)(CHHO)(CHH)	113.3990	0.389	2	113.3990	0.151	2	113.3990	0.151	2	113.6880	5.539	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:1:1:	5:4:	4:1:1:	C-3:O-2:H-1:H-1:	P-5:C-4:	C-4:H-1:H-1:	C(CHH)(OP)(H)2	O(PO3U)(CCHH)	C(CHHO)(H)2	C(CHH)(OP)(H)2	O(PO3U)(CCHH)	C(CHHO)(H)2	114.5510	0.000	1	114.5510	0.000	1	114.5510	0.000	1	114.5510	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:2:1:	4:1:	3:4:1:	C-3:N-2:O-2:H-1:	C-4:H-1:	N-3:C-4:O-1:	C(CNO)(NC)(OH)(H)	O(CCHN)(H)	C(NC[6a]C)(CHNO)(O)	C(CNO)(NC)(OH)(H)	O(CCHN)(H)	C(NC[6a]C)(CHNO)(O)	110.7060	1.245	4	110.7060	1.550	4	110.7060	1.550	4	110.2862	3.636	9	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:2:1:	4:1:	3:4:1:	C-3:O-2:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(OC)(OH)(H)	O(CCHO)(H)	C(C[6a]C[6a]2)(CHOO)(O)	C(CC[6a]O)(OC)(OH)(H)	O(CCHO)(H)	C(C[6a]C[6a]2)(CHOO)(O)	111.2147	2.354	3	111.2147	5.543	3	109.9504	5.793	5	110.2862	3.636	9	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:2:1:	4:1:	3:4:1:	C-3:O-2:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(OH)2(H)	O(CCHO)(H)	C(C[6a]C[6a]2)(CHOO)(O)	C(CC[6a]O)(OH)2(H)	O(CCHO)(H)	C(C[6a]C[6a]2)(CHOO)(O)	108.0540	0.314	2	108.0540	0.099	2	109.9504	5.793	5	110.2862	3.636	9	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:2:1:	4:1:	4:3:1:	C-3:C-2:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(CNO)(CN)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCH)(O)	C(CNO)(CN)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCH)(O)	112.4610	0.000	1	112.4610	0.000	1	112.4610	0.000	1	112.4610	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:2:1:	4:4:	3:4:1:	C-3:N-2:O-2:H-1:	C-4:C-4:	C-3:C-4:H-1:	C(CCH)(NC)(OC)(H)	O(CCHH)(CCHN)	C(CC[6a]2)(CHNO)(H)	C(CCH)(NC)(OC)(H)	O(CCHH)(CCHN)	C(CC[6a]2)(CHNO)(H)	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	108.1541	6.436	12	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:2:1:	4:4:	3:4:1:	C-3:O-2:O-2:H-1:	C-4:C-4:	C-3:C-4:I-1:	C(CCI)(OC)2(H)	O(CCHH)(CCHO)	C(CC[6a]I)(CHOO)(I)	C(CCI)(OC)2(H)	O(CCHH)(CCHO)	C(CC[6a]I)(CHOO)(I)	110.2065	2.845	4	110.2065	8.093	4	110.2065	8.093	4	108.1541	6.436	12	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:2:1:	4:4:	3:4:1:	C-3:O-2:O-2:H-1:	C-4:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(OC)(OH)(H)	O(CCHO)2	C(C[6a]C[6a]2)(CHOO)(O)	C(CC[6a]O)(OC)(OH)(H)	O(CCHO)2	C(C[6a]C[6a]2)(CHOO)(O)	105.6960	0.345	2	105.6960	0.119	2	105.1447	0.971	3	108.1541	6.436	12	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:2:1:	4:4:	3:4:1:	C-3:O-2:O-2:H-1:	C-4:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(OC)(OH)(H)	O(CC[6a]HH)(CCHO)	C(C[6a]C[6a]2)(CHOO)(O)	C(CC[6a]O)(OC)(OH)(H)	O(CC[6a]HH)(CCHO)	C(C[6a]C[6a]2)(CHOO)(O)	104.0420	0.000	1	104.0420	0.000	1	105.1447	0.971	3	108.1541	6.436	12	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:2:1:	4:4:	3:4:1:	C-3:S-2:O-2:H-1:	C-4:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(SC[6a])(OC)(H)	O(CCHS)(CH3)	C(C[6a]C[6a]2)(CHOS)(O)	C(CC[6a]O)(SC[6a])(OC)(H)	O(CCHS)(CH3)	C(C[6a]C[6a]2)(CHOS)(O)	108.3238	0.374	4	108.3238	0.140	4	108.3238	0.140	4	108.1541	6.436	12	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:2:1:	4:4:	4:4:1:	C-3:O-2:O-2:H-1:	C-4:C-4:	C-4:C-4:O-1:	C(CCO)(OC)2(H)	O(CCHO)(CH3)	C(CCHH)(CHOO)(O)	C(CCO)(OC)2(H)	O(CCHO)(CH3)	C(CCHH)(CHOO)(O)	109.3610	1.762	2	109.3610	3.105	2	109.3610	3.105	2	109.3610	3.105	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:3:1:	3:4:	4:2:1:	C[6a]-3:O-2:C-3:H-1:	N[6]-3:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(ON[6])(COO)(H)	O(N[6]C[6]2)(CC[6a]CH)	C(CC[6a]HO)(ON[6])(O)	C(C[6a]C[6a]2)(ON[6])(COO)(H)	O(N[6]C[6]2)(CC[6a]CH)	C(CC[6a]HO)(ON[6])(O)	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:3:1:	4:4:	4:2:1:	C[6a]-3:O-2:C-3:H-1:	C[6]-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(OC[6])(COO)(H)	O(C[6]C[6]2H)(CC[6a]CH)	C(CC[6a]HO)(OC)(O)	C(C[6a]C[6a]2)(OC[6])(COO)(H)	O(C[6]C[6]2H)(CC[6a]CH)	C(CC[6a]HO)(OC)(O)	110.1222	0.977	5	110.1222	0.954	5	110.1222	0.954	5	110.1222	0.954	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:3:1:	4:4:	4:3:1:	C[6a]-3:O-2:C-3:H-1:	C[5]-4:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(OC[5])(CCH)(H)	O(C[5]C[5]O[5]C)(CC[6a]CH)	C(CC[6a]HO)(CHH)(H)	C(C[6a]C[6a]2)(OC[5])(CCH)(H)	O(C[5]C[5]O[5]C)(CC[6a]CH)	C(CC[6a]HO)(CHH)(H)	109.0120	0.000	1	109.0120	0.000	1	109.0120	0.000	1	109.0120	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:2:4:1:	3:4:	3:4:1:	C-3:O-2:C-4:H-1:	N[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(ON[5])(CHHN)(H)	O(N[5]C[5]2)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(ON[5])(CHHN)(H)	O(N[5]C[5]2)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	113.9050	0.000	1	113.9050	0.000	1	113.9050	0.000	1	113.9050	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	3:4:	3:4:1:	C-3:C-3:O-2:H-1:	N[6]-3:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)2(ON[6])(H)	O(N[6]C[6]2)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)2(ON[6])(H)	O(N[6]C[6]2)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	110.7725	1.928	2	110.7725	3.718	2	110.7725	3.718	2	110.7725	3.718	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	3:4:1:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CC[6a]O)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[5a]C[6a])(CCHO)(H)	C(CC[6a]O)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[5a]C[6a])(CCHO)(H)	111.8330	0.000	1	111.8330	0.000	1	111.8330	0.000	1	108.7760	9.298	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	3:4:1:	C-3:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]C)(CC[6a]O)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]C)(CC[6a]O)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	104.7030	0.000	1	104.7030	0.000	1	107.9650	21.281	2	108.7760	9.298	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	3:4:1:	C-3:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CCH)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCH)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	111.2270	0.000	1	111.2270	0.000	1	107.9650	21.281	2	108.7760	9.298	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	3:4:1:	C[5a]-3:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(OH)(H)	O(CC[5a]CH)(H)	C(C[6a]C[6a]2)(CC[5a]HO)(O)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(OH)(H)	O(CC[5a]CH)(H)	C(C[6a]C[6a]2)(CC[5a]HO)(O)	110.7940	0.000	1	110.7940	0.000	1	110.7940	0.000	1	108.7760	9.298	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	3:4:1:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C[5a]-3:C-4:O-1:	C(C[6a]C[6a]2)(CC[5a]O)(OH)(H)	O(CC[6a]CH)(H)	C(C[5a]C[5a]S[5a])(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CC[5a]O)(OH)(H)	O(CC[6a]CH)(H)	C(C[5a]C[5a]S[5a])(CC[6a]HO)(O)	108.5520	0.000	1	108.5520	0.000	1	108.5520	0.000	1	108.7760	9.298	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	3:4:1:	N-3:C-3:O-2:H-1:	C-4:H-1:	N-3:C-4:O-1:	C(NC[6]2)(CNO)(OH)(H)	O(CCHN)(H)	C(NC[6]2)(CHNO)(O)	C(NC[6]2)(CNO)(OH)(H)	O(CCHN)(H)	C(NC[6]2)(CHNO)(O)	105.5470	0.000	1	105.5470	0.000	1	105.5470	0.000	1	108.7760	9.298	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	3:4:2:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CC[6])	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CC[6])	111.0240	0.000	1	111.0240	0.000	1	111.0240	0.000	1	111.1570	1.410	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	3:4:2:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)	111.1903	1.368	4	111.1903	1.872	4	111.1903	1.872	4	111.1570	1.410	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	3:4:3:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:N-3:	C(CCN)(COO)(OH)(H)	O(CCCH)(H)	C(CC[6a]H)(CCHO)(NOO)	C(CCN)(COO)(OH)(H)	O(CCCH)(H)	C(CC[6a]H)(CCHO)(NOO)	113.3010	0.000	1	113.3010	0.000	1	113.3010	0.000	1	111.6840	3.731	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	3:4:3:	C-3:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(CC[6a]O)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)	C(CC[6a]C)(CC[6a]O)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)	112.1350	0.000	1	112.1350	0.000	1	111.6770	0.420	2	111.6840	3.731	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	3:4:3:	C-3:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(CNO)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)	C(CC[6a]C)(CNO)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)	111.2190	0.000	1	111.2190	0.000	1	111.6770	0.420	2	111.6840	3.731	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	3:4:3:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C[5a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[5a]C)(OH)(H)	O(CC[6a]CH)(H)	C(C[5a]N[5a]O[5a])(CC[6a]HO)(CHH)	C(C[6a]C[6a]2)(CC[5a]C)(OH)(H)	O(CC[6a]CH)(H)	C(C[5a]N[5a]O[5a])(CC[6a]HO)(CHH)	111.3610	0.000	1	111.3610	0.000	1	111.3610	0.000	1	111.6840	3.731	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	3:4:3:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCN)	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCN)	113.7295	0.359	2	113.7295	0.129	2	111.3640	7.523	4	111.6840	3.731	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	3:4:3:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHH)	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	O(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHH)	108.9985	0.244	2	108.9985	0.060	2	111.3640	7.523	4	111.6840	3.731	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:1:1:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-1:O-1:	C(COO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	C(COO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	111.7057	1.411	4	111.7057	1.990	4	111.7057	1.990	4	110.6172	2.101	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:1:1:	C[6]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-1:O-1:	C(C[6]C[6]2)(COO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(O)2	C(C[6]C[6]2)(COO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(O)2	112.3770	0.000	1	112.3770	0.000	1	112.3770	0.000	1	110.6172	2.101	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:1:1:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(O)2	C(C[6a]C[6a]2)(COO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(O)2	110.5231	1.428	65	110.5231	2.040	65	110.5231	2.040	65	110.6172	2.101	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:2:1:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CCN)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CCN)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	109.7580	0.000	1	109.7580	0.000	1	110.6211	2.758	7	109.3732	3.478	108	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:2:1:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(COO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(OCu)(O)	C(COO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(OCu)(O)	111.1182	2.173	4	111.1182	4.721	4	110.6211	2.758	7	109.3732	3.478	108	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:2:1:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(COO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	C(COO)2(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	110.0585	0.132	2	110.0585	0.017	2	110.6211	2.758	7	109.3732	3.478	108	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:2:1:	C[5]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5]N[5])(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC)(O)	C(C[5]C[5]N[5])(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC)(O)	110.0140	0.000	1	110.0140	0.000	1	110.0140	0.000	1	109.3732	3.478	108	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:2:1:	C[5a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[5a]C[5a,6a]N[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	C(CC[5a]HO)(OC)(O)	C(C[5a]C[5a,6a]N[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	C(CC[5a]HO)(OC)(O)	111.1490	0.000	1	111.1490	0.000	1	110.1236	0.729	5	109.3732	3.478	108	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:2:1:	C[5a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[5a]C[5a]N[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	C(CC[5a]HO)(OC)(O)	C(C[5a]C[5a]N[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	C(CC[5a]HO)(OC)(O)	110.7590	0.000	1	110.7590	0.000	1	110.1236	0.729	5	109.3732	3.478	108	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:2:1:	C[5a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[5a]C[5a]O[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	C(CC[5a]HO)(OC[6])(O)	C(C[5a]C[5a]O[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	C(CC[5a]HO)(OC[6])(O)	109.2830	0.221	2	109.2830	0.049	2	110.1236	0.729	5	109.3732	3.478	108	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:2:1:	C[5a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[5a]C[5a]S[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	C(CC[5a]HO)(OC)(O)	C(C[5a]C[5a]S[5a])(COO)(OH)(H)	O(CC[5a]CH)(H)	C(CC[5a]HO)(OC)(O)	110.1440	0.000	1	110.1440	0.000	1	110.1236	0.729	5	109.3732	3.478	108	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:2:1:	C[6]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[6]C[6]2)(COO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(OH)(O)	C(C[6]C[6]2)(COO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(OH)(O)	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	109.3732	3.478	108	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-2:H-1:	C(C[6a]C[6a]2)(CCH)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CC)(H)	C(C[6a]C[6a]2)(CCH)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CC)(H)	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	109.3732	3.478	108	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(OC)(O)	C(C[6a]C[6a]2)(COO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(OC)(O)	106.2421	0.414	14	106.2421	0.172	14	109.2144	3.639	93	109.3732	3.478	108	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(OC[6])(O)	C(C[6a]C[6a]2)(COO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(OC[6])(O)	110.2072	0.627	5	110.2072	0.393	5	109.2144	3.639	93	109.3732	3.478	108	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(OH)(O)	C(C[6a]C[6a]2)(COO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(OH)(O)	109.6408	1.555	72	109.6408	2.417	72	109.2144	3.639	93	109.3732	3.478	108	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(OSb)(O)	C(C[6a]C[6a]2)(COO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(OSb)(O)	112.1890	0.048	2	112.1890	0.002	2	109.2144	3.639	93	109.3732	3.478	108	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:2:4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:P-2:C-4:	C(C[6a]C[6a]2)(CCP)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(PC[6])(CC3)	C(C[6a]C[6a]2)(CCP)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(PC[6])(CC3)	109.4900	3.700	2	109.4900	13.687	2	109.4900	13.687	2	109.4900	13.687	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:1:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCH)2(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	C(CCH)2(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	109.5007	2.139	6	109.5007	4.573	6	109.5007	4.573	6	109.0370	3.781	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:1:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:O-1:	C(CCC)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(O)	C(CCC)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(O)	110.1980	0.000	1	110.1980	0.000	1	110.1980	0.000	1	109.0370	3.781	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:1:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(CC[6a]C)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCH)(O)	C(CC[6a]C)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCH)(O)	107.6830	0.000	1	107.6830	0.000	1	107.3715	0.194	2	109.0370	3.781	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:1:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(CSiC)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCH)(O)	C(CSiC)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCH)(O)	107.0600	0.000	1	107.0600	0.000	1	107.3715	0.194	2	109.0370	3.781	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:1:	C[5a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(C[5a]C[5a,6a]C[5a])(CNO)(OH)(H)	O(CC[5a]CH)(H)	C(CC[5a]HO)(NCH)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(OH)(H)	O(CC[5a]CH)(H)	C(CC[5a]HO)(NCH)(O)	113.0950	0.000	1	113.0950	0.000	1	113.0950	0.000	1	109.0370	3.781	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:1:	C[6]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(CCC)(H)	C(C[6]C[6]2)(CCH)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(CCC)(H)	109.6385	2.024	2	109.6385	4.098	2	109.6385	4.098	2	109.0370	3.781	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:1:	C[6]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(C[6]C[6]N[6])(CNO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(NC[6a]2)(O)	C(C[6]C[6]N[6])(CNO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(NC[6a]2)(O)	105.2210	1.257	2	105.2210	1.581	2	105.2210	1.581	2	109.0370	3.781	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CCH)(Br)	C(C[6a]C[6a]2)(CBrC)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CCH)(Br)	110.0930	0.000	1	110.0930	0.000	1	110.0930	0.000	1	109.0370	3.781	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CCC)(H)	109.5740	0.000	1	109.5740	0.000	1	109.2193	0.117	3	109.0370	3.781	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CCH)(H)	109.0420	0.212	2	109.0420	0.045	2	109.2193	0.117	3	109.0370	3.781	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(NCH)(O)	108.9865	1.077	2	108.9865	1.160	2	109.0632	0.454	6	109.0370	3.781	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(NC[6a]H)(O)	108.9300	0.607	3	108.9300	0.369	3	109.0632	0.454	6	109.0370	3.781	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(C[6a]C[6a]N[6a])(CNO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(NC[6a]2)(O)	C(C[6a]C[6a]N[6a])(CNO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(NC[6a]2)(O)	109.6160	0.000	1	109.6160	0.000	1	109.0632	0.454	6	109.0370	3.781	24	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:2:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CHH)(CN)	C(C[6a]C[6a]2)(CCC)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CHH)(CN)	110.3118	0.557	6	110.3118	0.310	6	110.3118	0.310	6	110.2441	0.291	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:2:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CFF)(OC)	C(C[6a]C[6a]2)(CCO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CFF)(OC)	109.8380	0.000	1	109.8380	0.000	1	109.8380	0.000	1	110.2441	0.291	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:3:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:C-3:	C(CCC)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(CHN)	C(CCC)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(CHN)	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	110.8036	3.949	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:3:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CHH)(COO)	C(C[6a]C[6a]2)(CCC)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CHH)(COO)	111.6830	1.501	5	111.6830	2.252	5	111.6830	2.252	5	110.8036	3.949	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:3:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:S-3:C-3:	C(C[6a]C[6a]2)(CCS)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(SC[6a]O)(CHO)	C(C[6a]C[6a]2)(CCS)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(SC[6a]O)(CHO)	107.8460	0.000	1	107.8460	0.000	1	107.8460	0.000	1	110.8036	3.949	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:3:4:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:S-4:	C(C[6a]C[6a]2)(CCS)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CC[6a]I)(SCOO)	C(C[6a]C[6a]2)(CCS)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CC[6a]I)(SCOO)	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:4:1:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(CCC)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(O)	C(CCC)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(O)	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	109.1600	2.017	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:4:1:	C[6]-3:C-3:O-2:H-1:	C-4:H-1:	C[6]-4:C-4:O-1:	C(C[6]C[6]2)(CC[6]O)(OH)(H)	O(CC[6]CH)(H)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(O)	C(C[6]C[6]2)(CC[6]O)(OH)(H)	O(CC[6]CH)(H)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(O)	106.9920	0.000	1	106.9920	0.000	1	108.4563	1.616	3	109.1600	2.017	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:4:1:	C[6]-3:C-3:O-2:H-1:	C-4:H-1:	C[6]-4:C-4:O-1:	C(C[6]C[6]2)(CC[6]O)(OH)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2C)(CC[6]HO)(O)	C(C[6]C[6]2)(CC[6]O)(OH)(H)	O(CC[6]CH)(H)	C(C[6]C[6]2C)(CC[6]HO)(O)	109.1885	0.125	2	109.1885	0.016	2	108.4563	1.616	3	109.1600	2.017	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:4:1:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(C[6a]C[6a]2)(CCO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CCHH)(O)	C(C[6a]C[6a]2)(CCO)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CCHH)(O)	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.1600	2.017	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:4:2:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-2:	C(C[6a]C[6a]2)(CCC)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CHHO)(CC)	C(C[6a]C[6a]2)(CCC)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CHHO)(CC)	107.2290	0.000	1	107.2290	0.000	1	107.2290	0.000	1	111.5009	6.051	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:4:2:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:N-2:	C(C[6a]C[6a]2)(CCN)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CF3)(NN)	C(C[6a]C[6a]2)(CCN)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(CF3)(NN)	112.9650	0.000	1	112.9650	0.000	1	112.9650	0.000	1	111.5009	6.051	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:4:2:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C-4:Si-4:C-2:	C(C[6a]C[6a]2)(CSiC)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(SiC3)(CC)	C(C[6a]C[6a]2)(CSiC)(OH)(H)	O(CC[6a]CH)(H)	C(CC[6a]HO)(SiC3)(CC)	112.0624	1.893	5	112.0624	3.584	5	112.0624	3.584	5	111.5009	6.051	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:4:3:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCC)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CCH)	C(CCC)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CCH)	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	113.6135	8.528	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:4:3:	C-3:C-3:O-2:H-1:	C-4:H-1:	C-4:Si-4:C-3:	C(CSiC)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(SiC3)(CCH)	C(CSiC)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(SiC3)(CCH)	114.2750	0.000	1	114.2750	0.000	1	114.2750	0.000	1	113.6135	8.528	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:4:3:	C-3:C-3:O-2:H-1:	C-4:H-1:	P-4:C-4:C-3:	C(CIrC)(CCP)(OH)(H)	O(CCCH)(H)	C(PC[6a]3)(CCHO)(CIrH)	C(CIrC)(CCP)(OH)(H)	O(CCCH)(H)	C(PC[6a]3)(CCHO)(CIrH)	116.8670	0.000	1	116.8670	0.000	1	116.8670	0.000	1	113.6135	8.528	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:1:	4:4:3:	C[6a]-3:C-3:O-2:H-1:	C-4:H-1:	C[6]-4:C-4:C-3:	C(C[6a]C[6a]2)(CC[6]C)(OH)(H)	O(CC[6a]CH)(H)	C(C[6]C[6]2H)(CC[6a]HO)(CCH)	C(C[6a]C[6a]2)(CC[6]C)(OH)(H)	O(CC[6a]CH)(H)	C(C[6]C[6]2H)(CC[6a]HO)(CCH)	113.5130	0.000	1	113.5130	0.000	1	113.5130	0.000	1	113.6135	8.528	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:2:	4:3:1:	N[5a]-3:C-3:O-2:H-1:	C-4:O-2:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a,6])(CCH)(OO)(H)	O(CN[5a]CH)(OC)	C(CN[5a]HO)(CCC)(H)	C(N[5a]C[5a,6a]C[5a,6])(CCH)(OO)(H)	O(CN[5a]CH)(OC)	C(CN[5a]HO)(CCC)(H)	105.8300	0.000	1	105.8300	0.000	1	105.8300	0.000	1	105.8300	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	3:4:1:	C-3:C-3:O-2:H-1:	C-4:C-4:	N-3:C-4:O-1:	C(CCO)(CNO)(OC)(H)	O(CCCH)(CCHH)	C(NC[6a]H)(CCHO)(O)	C(CCO)(CNO)(OC)(H)	O(CCCH)(CCHH)	C(NC[6a]H)(CCHO)(O)	107.3517	0.623	18	107.3517	0.388	18	107.3517	0.388	18	107.5291	0.829	25	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	3:4:1:	C-3:N-3:O-2:H-1:	C-4:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(NCN)(OC)(H)	O(CC[6a]HH)(CCHN)	C(C[6a]C[6a]2)(CHNO)(O)	C(CC[6a]O)(NCN)(OC)(H)	O(CC[6a]HH)(CCHN)	C(C[6a]C[6a]2)(CHNO)(O)	107.4700	0.000	1	107.4700	0.000	1	107.4700	0.000	1	107.5291	0.829	25	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	3:4:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	N[5]-3:C-4:O-1:	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	O(CC[6a]CH)(CH3)	C(N[5]C[5,6,6]C[5])(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	O(CC[6a]CH)(CH3)	C(N[5]C[5,6,6]C[5])(CC[6a]HO)(O)	106.3760	0.000	1	106.3760	0.000	1	107.1927	3.067	3	107.5291	0.829	25	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	3:4:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	N[5]-3:C-4:O-1:	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	O(CC[6a]CH)(CH3)	C(N[5]C[5]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	O(CC[6a]CH)(CH3)	C(N[5]C[5]2)(CC[6a]HO)(O)	107.6010	2.266	2	107.6010	5.133	2	107.1927	3.067	3	107.5291	0.829	25	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	3:4:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	N[6]-3:C-4:O-1:	C(C[6a]C[6a]2)(CN[6]O)(OC)(H)	O(CC[6a]CH)(CH3)	C(N[6]C[6,6a]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CN[6]O)(OC)(H)	O(CC[6a]CH)(CH3)	C(N[6]C[6,6a]2)(CC[6a]HO)(O)	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	107.5291	0.829	25	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	3:4:1:	C[6a]-3:C-3:O-2:H-1:	P[5]-4:C-4:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(OP[5])(H)	O(P[5]O[5]2O)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CC[6a]O)(OP[5])(H)	O(P[5]O[5]2O)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(O)	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	107.5291	0.829	25	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	3:4:1:	C[6a]-3:C-3:O-2:H-1:	Si-4:C-4:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(OSi)(H)	O(SiC[6a]2C)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(O)	C(C[6a]C[6a]2)(CC[6a]O)(OSi)(H)	O(SiC[6a]2C)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(O)	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	107.5291	0.829	25	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	3:4:3:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	N[5a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(OC)(H)	O(CC[6a]CH)(CH3)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(CC[5]H)	C(C[6a]C[6a]2)(CN[5a]C)(OC)(H)	O(CC[6a]CH)(CH3)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(CC[5]H)	105.2330	0.000	1	105.2330	0.000	1	105.2330	0.000	1	105.2330	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:1:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(O)2	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(O)2	109.8732	2.341	5	109.8732	5.479	5	109.8732	5.479	5	109.8732	5.479	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:2:1:	C-3:C-3:O-2:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(COO)2(OC)(H)	O(CC[6a]N[5a]H)(CCCH)	C(CCHO)(OC)(O)	C(COO)2(OC)(H)	O(CC[6a]N[5a]H)(CCCH)	C(CCHO)(OC)(O)	109.8690	3.981	12	109.8690	15.847	12	109.8690	15.847	12	109.0724	11.947	29	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:2:1:	C-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:O-2:O-1:	C(CCH)(COO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(OC)(O)	C(CCH)(COO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(OC)(O)	109.4195	1.043	2	109.4195	1.088	2	109.4195	1.088	2	109.0724	11.947	29	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:2:1:	C[6,6]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(C[6,6]C[3x6]C[6,6])(COO)(OC)(H)	O(CC[6,6]CH)(CH3)	C(CC[6,6]HO)(OC)(O)	C(C[6,6]C[3x6]C[6,6])(COO)(OC)(H)	O(CC[6,6]CH)(CH3)	C(CC[6,6]HO)(OC)(O)	105.8080	0.000	1	105.8080	0.000	1	105.8080	0.000	1	109.0724	11.947	29	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]2H)(CC[6a]CH)	C(CC[6a]HO)(OC)(O)	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]2H)(CC[6a]CH)	C(CC[6a]HO)(OC)(O)	109.7150	7.724	2	109.7150	59.667	2	108.6109	12.671	10	109.0724	11.947	29	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(OC)(O)	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(OC)(O)	111.1040	0.000	1	111.1040	0.000	1	108.6109	12.671	10	109.0724	11.947	29	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(OC[5])(O)	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(OC[5])(O)	105.2190	0.000	2	105.2190	0.000	2	108.6109	12.671	10	109.0724	11.947	29	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(OC[6a])(O)	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(OC[6a])(O)	109.7445	1.962	4	109.7445	3.851	4	108.6109	12.671	10	109.0724	11.947	29	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(OH)(O)	C(C[6a]C[6a]2)(COO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(OH)(O)	106.1590	0.000	1	106.1590	0.000	1	108.6109	12.671	10	109.0724	11.947	29	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:S-2:O-1:	C(C[6a]C[6a]2)(COS)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(SC[6])(O)	C(C[6a]C[6a]2)(COS)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(SC[6])(O)	110.8360	0.023	2	110.8360	0.001	2	110.8360	0.001	2	109.0724	11.947	29	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:2:1:	C[6a]-3:C-3:O-2:H-1:	C-4:S-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OS)(H)	O(CC[6a]CH)(SC[6a]OO)	C(CC[6a]HO)(OC)(O)	C(C[6a]C[6a]2)(COO)(OS)(H)	O(CC[6a]CH)(SC[6a]OO)	C(CC[6a]HO)(OC)(O)	106.1215	0.890	2	106.1215	0.793	2	106.1215	0.793	2	109.0724	11.947	29	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:1:	C-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-3:H-1:	C(CCH)(CNO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(CCH)(H)	C(CCH)(CNO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(CCH)(H)	109.5490	0.000	1	109.5490	0.000	1	112.4600	6.908	3	111.0879	5.072	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:1:	C-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-3:H-1:	C(CCH)(COO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(CCH)(H)	C(CCH)(COO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(CCH)(H)	113.9155	1.051	2	113.9155	1.106	2	112.4600	6.908	3	111.0879	5.072	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:1:	C-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:N-3:O-1:	C(CCH)(CNO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(NHH)(O)	C(CCH)(CNO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(NHH)(O)	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	111.0879	5.072	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:1:	C-3:N-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCH)(NCS)(OC)(H)	O(CCHN)(CH3)	C(CHNO)(CHH)(H)	C(CCH)(NCS)(OC)(H)	O(CCHN)(CH3)	C(CHNO)(CHH)(H)	108.2570	0.000	1	108.2570	0.000	1	108.2570	0.000	1	111.0879	5.072	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:1:	C[6]-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-3:H-1:	C(C[6]C[6]2)(CCH)(OSi)(H)	O(CC[6]CH)(SiC3)	C(CC[6]HO)(CCC)(H)	C(C[6]C[6]2)(CCH)(OSi)(H)	O(CC[6]CH)(SiC3)	C(CC[6]HO)(CCC)(H)	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	111.0879	5.072	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:Cl-1:	C(C[6a]C[6a]2)(CClC)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(CC[6a]H)(Cl)	C(C[6a]C[6a]2)(CClC)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(CC[6a]H)(Cl)	113.4413	1.608	6	113.4413	2.585	6	113.4413	2.585	6	111.0879	5.072	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)2	C(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(OC)(H)	O(CC[6a]CH)2	C(CC[6a]HO)(CCH)(H)	109.4050	0.000	1	109.4050	0.000	1	109.4050	0.000	1	111.0879	5.072	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CCHH)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CCHH)	C(CC[6a]HO)(NCH)(O)	109.9020	0.000	1	109.9020	0.000	1	110.8144	3.743	11	111.0879	5.072	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(NCH)(O)	110.2084	2.006	7	110.2084	4.022	7	110.8144	3.743	11	111.0879	5.072	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(NC[5]H)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(NC[5]H)(O)	112.2630	0.000	1	112.2630	0.000	1	110.8144	3.743	11	111.0879	5.072	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(NC[6a]H)(O)	112.6670	0.966	2	112.6670	0.933	2	110.8144	3.743	11	111.0879	5.072	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-3:Cl-1:	C(C[6a]C[6a]2)(CClC)(OSi)(H)	O(CC[6a]CH)(SiC3)	C(CC[6a]HO)(CCH)(Cl)	C(C[6a]C[6a]2)(CClC)(OSi)(H)	O(CC[6a]CH)(SiC3)	C(CC[6a]HO)(CCH)(Cl)	108.9630	0.000	1	108.9630	0.000	1	108.9630	0.000	1	111.0879	5.072	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:1:	C[6a]-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(OSi)(H)	O(CC[6a]CH)(SiC3)	C(CC[6a]HO)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(OSi)(H)	O(CC[6a]CH)(SiC3)	C(CC[6a]HO)(NCC)(O)	110.4620	0.000	1	110.4620	0.000	1	110.4620	0.000	1	111.0879	5.072	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:1:	N[5a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(CCH)(OC)(H)	O(CC[6a]HH)(CN[5a]CH)	C(CN[5a]HO)(CHH)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(OC)(H)	O(CC[6a]HH)(CN[5a]CH)	C(CN[5a]HO)(CHH)(H)	108.7620	0.672	2	108.7620	0.451	2	108.7620	0.451	2	111.0879	5.072	28	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:2:	C-3:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:O-2:	C(CCO)(CNO)(OC)(H)	O(CCCH)(CCHH)	C(CCHO)(CHH)(OC)	C(CCO)(CNO)(OC)(H)	O(CCCH)(CCHH)	C(CCHO)(CHH)(OC)	113.2442	0.484	18	113.2442	0.234	18	113.1473	0.399	19	111.9188	5.839	25	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:2:	C-3:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:O-2:	C(CCO)2(OC)(H)	O(CCCH)2	C(CCHO)(CCH)(OSi)	C(CCO)2(OC)(H)	O(CCCH)2	C(CCHO)(CCH)(OSi)	111.4030	0.000	1	111.4030	0.000	1	113.1473	0.399	19	111.9188	5.839	25	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:2:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(CCO)(CC)	C(C[6a]C[6a]2)(CCC)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(CCO)(CC)	107.2640	0.000	1	107.2640	0.000	1	107.2640	0.000	1	111.9188	5.839	25	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:2:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:N-2:	C(C[6a]C[6a]2)(CCN)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(CC[6a]H)(NN)	C(C[6a]C[6a]2)(CCN)(OC)(H)	O(CC[6a]CH)(CH3)	C(CC[6a]HO)(CC[6a]H)(NN)	111.3250	0.000	1	111.3250	0.000	1	111.3250	0.000	1	111.9188	5.839	25	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:2:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:O-2:	C(C[6a]N[6a]2)(CCO)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	C(CC[6a]HO)(CHH)(OC)	C(C[6a]N[6a]2)(CCO)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	C(CC[6a]HO)(CHH)(OC)	107.3957	0.377	4	107.3957	0.142	4	107.3957	0.142	4	111.9188	5.839	25	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	C(CC[6a]HO)(CB[5]H)(CCC)	C(C[6a]C[6a]2)(CCC)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	C(CC[6a]HO)(CB[5]H)(CCC)	107.6220	0.000	1	107.6220	0.000	1	110.1887	4.941	3	109.8822	2.139	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	C(CC[6a]HO)(CCC)(CHH)	C(C[6a]C[6a]2)(CCC)(OC)(H)	O(CC[6a]CH)(CC[6a]HH)	C(CC[6a]HO)(CCC)(CHH)	111.4720	0.000	2	111.4720	0.000	2	110.1887	4.941	3	109.8822	2.139	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(OSi)(H)	O(CC[6a]CH)(SiC3)	C(CC[6a]HO)(CSnH)(CCC)	C(C[6a]C[6a]2)(CCC)(OSi)(H)	O(CC[6a]CH)(SiC3)	C(CC[6a]HO)(CSnH)(CCC)	109.3460	0.000	1	109.3460	0.000	1	109.5757	0.125	3	109.8822	2.139	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:3:3:	C[6a]-3:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(OSi)(H)	O(CC[6a]CH)(SiC[6a]3)	C(CC[6a]HO)(CHH)(COO)	C(C[6a]C[6a]2)(CCC)(OSi)(H)	O(CC[6a]CH)(SiC[6a]3)	C(CC[6a]HO)(CHH)(COO)	109.6905	0.414	2	109.6905	0.171	2	109.5757	0.125	3	109.8822	2.139	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:4:1:	C-3:C-3:O-2:H-1:	C-4:C-4:	C-4:C-4:O-1:	C(CCO)2(OC)(H)	O(CCCH)2	C(CCHH)(CCHO)(O)	C(CCO)2(OC)(H)	O(CCCH)2	C(CCHH)(CCHO)(O)	116.4330	0.000	1	116.4330	0.000	1	116.4330	0.000	1	112.2457	17.794	3	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:1:	4:4:	4:4:1:	C[6]-3:C-3:O-2:H-1:	C-4:C-4:	C[6]-4:C-4:O-1:	C(C[6]C[6]2)(CC[6]O)(OC)(H)	O(CC[6]CH)(CH3)	C(C[6]C[6]2C)(CC[6]HO)(O)	C(C[6]C[6]2)(CC[6]O)(OC)(H)	O(CC[6]CH)(CH3)	C(C[6]C[6]2C)(CC[6]HO)(O)	110.1520	3.048	2	110.1520	9.288	2	110.1520	9.288	2	112.2457	17.794	3	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:2:	4:1:	3:4:1:	C[6a]-3:C-3:C-2:O-2:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CC)(OH)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CC)(OH)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(O)	107.4580	0.416	2	107.4580	0.173	2	107.4580	0.173	2	107.4580	0.173	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:2:	4:1:	4:2:1:	C-3:C-3:O-2:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(COO)2(OH)2	O(CCCO)(H)	C(CCOO)(OC)(O)	C(COO)2(OH)2	O(CCCO)(H)	C(CCOO)(OC)(O)	108.6516	2.835	8	108.6516	8.037	8	108.6516	8.037	8	108.3001	10.444	10	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:2:	4:1:	4:2:1:	C[6a]-3:C-3:O-2:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]N[6a])(COO)(OH)2	O(CC[6a]CO)(H)	C(CC[6a]OO)(OC)(O)	C(C[6a]C[6a]N[6a])(COO)(OH)2	O(CC[6a]CO)(H)	C(CC[6a]OO)(OC)(O)	106.8940	5.726	2	106.8940	32.789	2	106.8940	32.789	2	108.3001	10.444	10	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:2:	4:1:	4:4:1:	C[6a]-3:C-3:C-2:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(C[6a]C[5,6a]C[6a])(CCO)(CC)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CCCH)(O)	C(C[6a]C[5,6a]C[6a])(CCO)(CC)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CCCH)(O)	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:2:	4:4:	4:2:1:	C-3:C-3:O-2:O-2:	C-4:C-4:	C-4:S-2:S-1:	C(CCO)(CSS)(OC)2	O(CCCO)(CH3)	C(CCOO)(SC)(S)	C(CCO)(CSS)(OC)2	O(CCCO)(CH3)	C(CCOO)(SC)(S)	109.5355	5.192	2	109.5355	26.960	2	109.5355	26.960	2	109.5355	26.960	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:2:2:	4:4:	4:3:1:	C-3:C-3:O-2:O-2:	C-4:C-4:	C-4:C-3:O-1:	C(CCO)(CSS)(OC)2	O(CCCO)(CH3)	C(CCOO)(CCH)(O)	C(CCO)(CSS)(OC)2	O(CCCO)(CH3)	C(CCOO)(CCH)(O)	109.4250	3.036	2	109.4250	9.219	2	109.4250	9.219	2	109.4250	9.219	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	3:4:1:	C-3:C-3:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CCH)2(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	C(CCH)2(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	110.8685	1.175	2	110.8685	1.379	2	110.5567	0.611	4	110.5567	0.611	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	3:4:1:	C-3:C-3:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CC[6]C)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	C(CC[6]C)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	110.4240	0.000	1	110.4240	0.000	1	110.5567	0.611	4	110.5567	0.611	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	3:4:1:	C-3:C-3:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CC[6a]C)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	C(CC[6a]C)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	110.0660	0.000	1	110.0660	0.000	1	110.5567	0.611	4	110.5567	0.611	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	3:4:2:	C-3:C-3:C-3:O-2:	C-4:H-1:	C[6a]-3:C-4:C-2:	C(CC[6a]C)(CCH)(COO)(OH)	O(CC3)(H)	C(C[6a]C[6a]2)(CCCO)(CC)	C(CC[6a]C)(CCH)(COO)(OH)	O(CC3)(H)	C(C[6a]C[6a]2)(CCCO)(CC)	112.4310	0.000	1	112.4310	0.000	1	112.4310	0.000	1	108.9728	5.738	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	3:4:2:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:H-1:	C[3]-3:C-4:Se-2:	C(C[6a]C[6a]2)2(CC[3]Se)(OH)	O(CC[6a]2C)(H)	C(C[3]C[3]2)(CC[6a]2O)(SeC[6a])	C(C[6a]C[6a]2)2(CC[3]Se)(OH)	O(CC[6a]2C)(H)	C(C[3]C[3]2)(CC[6a]2O)(SeC[6a])	108.6670	0.000	1	108.6670	0.000	1	108.6670	0.000	1	108.9728	5.738	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	3:4:2:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:H-1:	C[6a]-3:C-4:N-2:	C(C[6a]C[6a]2)2(CC[6a]N)(OH)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)(CC[6a]2O)(NC[6a])	C(C[6a]C[6a]2)2(CC[6a]N)(OH)	O(CC[6a]2C)(H)	C(C[6a]C[6a]2)(CC[6a]2O)(NC[6a])	107.3965	0.438	2	107.3965	0.192	2	107.3965	0.192	2	108.9728	5.738	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:1:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:H-1:	C-4:O-1:O-1:	C(C[6a]C[6a]2)2(COO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(O)2	C(C[6a]C[6a]2)2(COO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(O)2	108.1446	1.244	11	108.1446	1.547	11	108.1446	1.547	11	108.1446	1.547	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C-3:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CCH)2(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CCH)2(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	107.8980	0.000	1	107.8980	0.000	1	107.6877	0.220	3	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C-3:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6]C)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[6]C)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	108.0150	0.000	1	108.0150	0.000	1	107.6877	0.220	3	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C-3:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]C)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[6a]C)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	107.1500	0.000	1	107.1500	0.000	1	107.6877	0.220	3	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C[5]-3:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5,6a]C[5])(CCO)(COO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(OC)(O)	C(C[5]C[5,6a]C[5])(CCO)(COO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(OC)(O)	108.3940	0.000	1	108.3940	0.000	1	108.3940	0.000	1	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C[5a]-3:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[5a]C[5a]N[5a])(CCH)(COO)(OH)	O(CC[5a]CC)(H)	C(CC[5a]CO)(OC)(O)	C(C[5a]C[5a]N[5a])(CCH)(COO)(OH)	O(CC[5a]CC)(H)	C(CC[5a]CO)(OC)(O)	107.9930	0.187	2	107.9930	0.035	2	107.9930	0.035	2	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C[5a]-3:C-3:N-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[5a]C[5a,6a]C[5a,6])(COO)(NCO)(OH)	O(CC[5a]CN)(H)	C(CC[5a]NO)(OC)(O)	C(C[5a]C[5a,6a]C[5a,6])(COO)(NCO)(OH)	O(CC[5a]CN)(H)	C(CC[5a]NO)(OC)(O)	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C[5a]-3:C[6a]-3:C-3:O-2:	C-4:H-1:	C-4:N-2:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)(OH)	O(CC[5a]C[6a]C)(H)	C(CC[5a]C[6a]O)(NC[6a])(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)(OH)	O(CC[5a]C[6a]C)(H)	C(CC[5a]C[6a]O)(NC[6a])(H)	105.5170	0.000	1	105.5170	0.000	1	105.5170	0.000	1	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C[6a]-3:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CCO)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CCO)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	109.6710	0.000	1	109.6710	0.000	1	109.0393	0.373	3	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C[6a]-3:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CNO)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CNO)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	108.4520	0.000	1	108.4520	0.000	1	109.0393	0.373	3	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C[6a]-3:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CNP)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CNP)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	108.9950	0.000	1	108.9950	0.000	1	109.0393	0.373	3	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C[6a]-3:C[5]-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(OH)	O(CC[6a]C[5]C)(H)	C(CC[6a]C[5]O)(OC)(O)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(OH)	O(CC[6a]C[5]C)(H)	C(CC[6a]C[5]O)(OC)(O)	113.1340	0.000	1	113.1340	0.000	1	113.1340	0.000	1	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:H-1:	C-4:C-2:H-1:	C(C[6a]C[6a]2)2(CCH)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(CRe)(H)	C(C[6a]C[6a]2)2(CCH)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(CRe)(H)	109.2850	0.000	1	109.2850	0.000	1	109.8100	0.551	2	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:H-1:	C-4:C-2:H-1:	C(C[6a]C[6a]2)2(CCH)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(CRu)(H)	C(C[6a]C[6a]2)2(CCH)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(CRu)(H)	110.3350	0.000	1	110.3350	0.000	1	109.8100	0.551	2	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)2(COO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(OC[6])(O)	C(C[6a]C[6a]2)2(COO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(OC[6])(O)	107.9409	1.533	13	107.9409	2.349	13	107.5863	2.169	19	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)2(COO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(OFe)(O)	C(C[6a]C[6a]2)2(COO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(OFe)(O)	106.3800	0.000	1	106.3800	0.000	1	107.5863	2.169	19	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)2(COO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(OH)(O)	C(C[6a]C[6a]2)2(COO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(OH)(O)	104.8910	0.000	1	104.8910	0.000	1	107.5863	2.169	19	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:2:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)2(COO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(OSb)(O)	C(C[6a]C[6a]2)2(COO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(OSb)(O)	107.4090	0.353	4	107.4090	0.125	4	107.5863	2.169	19	108.0789	2.791	33	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:3:1:	C[5a]-3:C-3:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(CCH)(COO)(OH)	O(CC[5a]CC)(H)	C(CC[5a]CO)(CC[6a]H)(H)	C(C[5a]C[5a]N[5a])(CCH)(COO)(OH)	O(CC[5a]CC)(H)	C(CC[5a]CO)(CC[6a]H)(H)	108.5820	0.440	2	108.5820	0.193	2	108.5820	0.193	2	107.2988	3.858	10	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:3:1:	C[5a]-3:C[6a]-3:C-3:O-2:	C-4:H-1:	C-4:N-3:O-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(OH)	O(CC[5a]C[6a]C)(H)	C(CC[5a]C[6a]O)(NC[6a]H)(O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(OH)	O(CC[5a]C[6a]C)(H)	C(CC[5a]C[6a]O)(NC[6a]H)(O)	109.7410	0.000	1	109.7410	0.000	1	109.7410	0.000	1	107.2988	3.858	10	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:3:1:	C[6a]-3:C-3:C-3:O-2:	C-4:H-1:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(CCO)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CCC)(O)	C(C[6a]C[6a]2)(CCO)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CCC)(O)	104.2190	0.000	1	104.2190	0.000	1	104.2190	0.000	1	107.2988	3.858	10	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:3:1:	C[6a]-3:C-3:C-3:O-2:	C-4:H-1:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NCH)(O)	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	107.2988	3.858	10	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:H-1:	C-4:N-3:O-1:	C(C[6a]C[6a]2)2(CNO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(NC[6a]H)(O)	C(C[6a]C[6a]2)2(CNO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(NC[6a]H)(O)	105.0570	0.000	1	105.0570	0.000	1	106.6430	2.953	5	107.2988	3.858	10	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:H-1:	C-4:N-3:O-1:	C(C[6a]C[6a]2)2(CNO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(NHN)(O)	C(C[6a]C[6a]2)2(CNO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(NHN)(O)	106.2060	0.407	3	106.2060	0.166	3	106.6430	2.953	5	107.2988	3.858	10	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:H-1:	C-4:N-3:O-1:	C(C[6a]C[6a]2)2(CNO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(NN[5]H)(O)	C(C[6a]C[6a]2)2(CNO)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(NN[5]H)(O)	109.5400	0.000	1	109.5400	0.000	1	106.6430	2.953	5	107.2988	3.858	10	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:3:2:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:H-1:	C-4:C-3:C-2:	C(C[6a]C[6a]2)2(CCC)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(CCH)(CC)	C(C[6a]C[6a]2)2(CCC)(OH)	O(CC[6a]2C)(H)	C(CC[6a]2O)(CCH)(CC)	106.3440	0.000	1	106.3440	0.000	1	106.3440	0.000	1	106.3440	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:3:3:	C[6a]-3:C-3:C-3:O-2:	C-4:H-1:	C-4:N-3:N-3:	C(C[6a]C[6a]2)(CCH)(CNN)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NHH)2	C(C[6a]C[6a]2)(CCH)(CNN)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NHH)2	104.3250	0.000	1	104.3250	0.000	1	104.3250	0.000	1	104.3250	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:4:1:	C[5]-3:C-3:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(C[5]C[5,6a]C[5])(CCO)(COO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(CH3)(O)	C(C[5]C[5,6a]C[5])(CCO)(COO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(CH3)(O)	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	108.9340	1.606	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:4:1:	C[6a]-3:C-3:C-3:O-2:	C-4:H-1:	C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(CNN)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(CNN)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CH3)(H)	109.8300	0.000	1	109.8300	0.000	1	109.8300	0.000	1	108.9340	1.606	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:4:2:	C-3:C-3:C-3:O-2:	C-4:H-1:	C[6]-4:C-4:C-2:	C(CC[6]C)(CCH)(COO)(OH)	O(CC3)(H)	C(C[6]C[6]2H)(CCCO)(CC)	C(CC[6]C)(CCH)(COO)(OH)	O(CC3)(H)	C(C[6]C[6]2H)(CCCO)(CC)	110.6580	0.000	1	110.6580	0.000	1	110.6580	0.000	1	108.5780	8.653	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:1:	4:4:2:	C[6a]-3:C-3:C-3:O-2:	C-4:H-1:	C-4:P-4:N-2:	C(C[6a]C[6a]2)(CNP)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(PO3)(NN)	C(C[6a]C[6a]2)(CNP)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(PO3)(NN)	106.4980	0.000	1	106.4980	0.000	1	106.4980	0.000	1	108.5780	8.653	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:2:	4:2:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:O-2:	C-4:O-2:O-1:	C(C[6a]C[6a]2)2(COO)(OO)	O(CC[6a]2C)(OC)	C(CC[6a]2O)(ON[6])(O)	C(C[6a]C[6a]2)2(COO)(OO)	O(CC[6a]2C)(OC)	C(CC[6a]2O)(ON[6])(O)	106.0320	0.000	1	106.0320	0.000	1	106.0320	0.000	1	106.0320	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:3:2:	4:4:	4:2:1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)2(COO)(OC)	O(CC[6a]2C)(CCHH)	C(CC[6a]2O)(OC)(O)	C(C[6a]C[6a]2)2(COO)(OC)	O(CC[6a]2C)(CCHH)	C(CC[6a]2O)(OC)(O)	109.0300	0.000	1	109.0300	0.000	1	109.0300	0.000	1	109.0300	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:4:2:	4:1:	3:4:1:	C[6a]-3:C-3:C-4:O-2:	C-4:H-1:	C[5a]-3:C-4:O-1:	C(C[6a]C[6a]2)(CC[5a]O)(CF3)(OH)	O(CC[6a]CC)(H)	C(C[5a]C[5a]O[5a])(CC[6a]CO)(O)	C(C[6a]C[6a]2)(CC[5a]O)(CF3)(OH)	O(CC[6a]CC)(H)	C(C[5a]C[5a]O[5a])(CC[6a]CO)(O)	110.8320	0.000	1	110.8320	0.000	1	110.8320	0.000	1	111.7840	1.813	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:4:2:	4:1:	3:4:1:	C[6a]-3:C-3:C-4:O-2:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CHHN)(OH)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CHHN)(OH)	O(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(O)	112.7360	0.000	1	112.7360	0.000	1	112.7360	0.000	1	111.7840	1.813	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:4:2:	4:4:	3:4:1:	C[6a]-3:C-3:C-4:O-2:	C-4:C-4:	N[4]-3:C-4:O-1:	C(C[6a]C[6a]2)(CN[4]O)(CF3)(OC)	O(CC[6a]CC)(CH3)	C(N[4]C[4]2)(CC[6a]CO)(O)	C(C[6a]C[6a]2)(CN[4]O)(CF3)(OC)	O(CC[6a]CC)(CH3)	C(N[4]C[4]2)(CC[6a]CO)(O)	112.0875	0.803	2	112.0875	0.644	2	112.0875	0.644	2	113.2596	1.552	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:4:2:	4:4:	3:4:1:	C[6a]-3:C-3:C-4:O-2:	C-4:C-4:	N[5a]-3:C-4:O-1:	C(C[6a]C[6a]2)(CN[5a]O)(CF3)(OC)	O(CC[6a]CC)(CH3)	C(N[5a]C[5a,6a]N[5a])(CC[6a]CO)(O)	C(C[6a]C[6a]2)(CN[5a]O)(CF3)(OC)	O(CC[6a]CC)(CH3)	C(N[5a]C[5a,6a]N[5a])(CC[6a]CO)(O)	113.5970	0.000	1	113.5970	0.000	1	113.5970	0.000	1	113.2596	1.552	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:3:4:2:	4:4:	3:4:1:	C[6a]-3:C-3:C-4:O-2:	C-4:C-4:	N[6]-3:C-4:O-1:	C(C[6a]C[6a]2)(CN[6]O)(CF3)(OC)	O(CC[6a]CC)(CH3)	C(N[6]C[6]2)(CC[6a]CO)(O)	C(C[6a]C[6a]2)(CN[6]O)(CF3)(OC)	O(CC[6a]CC)(CH3)	C(N[6]C[6]2)(CC[6a]CO)(O)	114.2630	0.829	2	114.2630	0.687	2	114.2630	0.687	2	113.2596	1.552	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:2:1:	4:1:	3:3:4:	C-3:C-4:O-2:H-1:	C-4:H-1:	C[5]-3:C[6a]-3:C-4:	C(CC[6a]C[5])(CH3)(OH)(H)	O(CCCH)(H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CCHO)	C(CC[6a]C[5])(CH3)(OH)(H)	O(CCCH)(H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CCHO)	112.1165	0.911	2	112.1165	0.831	2	112.1165	0.831	2	111.2903	1.270	10	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:2:1:	4:1:	3:3:4:	C-3:C-4:O-2:H-1:	C-4:H-1:	N[5]-3:C-3:C-4:	C(CN[5]C)(CC3)(OH)(H)	O(CCCH)(H)	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	C(CN[5]C)(CC3)(OH)(H)	O(CCCH)(H)	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	111.3948	0.341	6	111.3948	0.116	6	111.3948	0.116	6	111.2903	1.270	10	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:2:1:	4:1:	3:3:4:	C-3:C-4:O-2:H-1:	C-4:H-1:	N[5a]-3:C-3:C-4:	C(CN[5a]C)(CC3)(OH)(H)	O(CCCH)(H)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CCHO)	C(CN[5a]C)(CC3)(OH)(H)	O(CCCH)(H)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CCHO)	110.1505	2.447	2	110.1505	5.989	2	110.1505	5.989	2	111.2903	1.270	10	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:2:1:	4:1:	3:4:1:	C-3:C-4:O-2:H-1:	C-4:H-1:	C[5a]-3:C-4:O-1:	C(CC[5a]O)(CCHN)(OH)(H)	O(CCCH)(H)	C(C[5a]C[5a]O[5a])(CCHO)(O)	C(CC[5a]O)(CCHN)(OH)(H)	O(CCCH)(H)	C(C[5a]C[5a]O[5a])(CCHO)(O)	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	109.9181	3.710	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:2:1:	4:1:	3:4:1:	C-3:C-4:O-2:H-1:	C-4:H-1:	C[6]-3:C-4:H-1:	C(CC[6]H)(CCHH)(OH)(H)	O(CCCH)(H)	C(C[6]C[6]2)(CCHO)(H)	C(CC[6]H)(CCHH)(OH)(H)	O(CCCH)(H)	C(C[6]C[6]2)(CCHO)(H)	109.2610	0.000	1	109.2610	0.000	1	109.2610	0.000	1	109.9181	3.710	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:2:1:	4:1:	3:4:1:	C-3:C-4:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CCHH)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCHH)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	109.8982	0.945	6	109.8982	0.893	6	109.3469	3.010	8	109.9181	3.710	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:2:1:	4:1:	3:4:1:	C-3:C-4:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CCHN)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCHN)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	109.8500	0.000	1	109.8500	0.000	1	109.3469	3.010	8	109.9181	3.710	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:2:1:	4:1:	3:4:1:	C-3:C-4:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CCHO)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCHO)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	105.5360	0.000	1	105.5360	0.000	1	109.3469	3.010	8	109.9181	3.710	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:2:1:	4:1:	3:4:1:	C-3:C-4:O-2:H-1:	C-4:H-1:	N[5]-3:C-4:O-1:	C(CN[5]O)(CCHN)(OH)(H)	O(CCCH)(H)	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(CCHN)(OH)(H)	O(CCCH)(H)	C(N[5]C[5]2)(CCHO)(O)	110.8195	0.538	2	110.8195	0.290	2	111.9273	3.827	3	109.9181	3.710	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:2:1:	4:1:	3:4:1:	C-3:C-4:O-2:H-1:	C-4:H-1:	N[5]-3:C-4:O-1:	C(CN[5]O)(CH3)(OH)(H)	O(CCCH)(H)	C(N[5]C[5]2)(CCHO)(O)	C(CN[5]O)(CH3)(OH)(H)	O(CCCH)(H)	C(N[5]C[5]2)(CCHO)(O)	114.1430	0.000	1	114.1430	0.000	1	111.9273	3.827	3	109.9181	3.710	13	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:2:1:	4:4:	3:4:1:	C-3:C-4:O-2:H-1:	C-4:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CCHH)(OC)(H)	O(CCCH)(CCHH)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCHH)(OC)(H)	O(CCCH)(CCHH)	C(C[6a]C[6a]2)(CCHO)(O)	108.1740	0.000	2	108.1740	0.000	2	108.1740	0.000	2	109.3468	3.064	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:2:1:	4:4:	3:4:1:	C-3:C-4:O-2:H-1:	C-4:Si-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CCCH)(OSi)(H)	O(CCCH)(SiC3)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]O)(CCCH)(OSi)(H)	O(CCCH)(SiC3)	C(C[6a]C[6a]2)(CCHO)(O)	111.2385	0.530	2	111.2385	0.281	2	111.2385	0.281	2	109.3468	3.064	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:2:1:	4:4:	3:4:1:	C-3:C-4:O-2:H-1:	Si-4:C-4:	C[5]-3:C-4:H-1:	C(CC[5]H)(CHHO)(OSi)(H)	O(SiC[6a]2C)(CCCH)	C(C[5]C[5]O[5])(CCHO)(H)	C(CC[5]H)(CHHO)(OSi)(H)	O(SiC[6a]2C)(CCCH)	C(C[5]C[5]O[5])(CCHO)(H)	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	109.3468	3.064	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:2:2:	4:1:	3:4:1:	C-3:C-4:C-2:O-2:	C-4:H-1:	N[5]-3:C-4:O-1:	C(CN[5]O)(CH3)(CC)(OH)	O(CC3)(H)	C(N[5]C[5,6a]C[5])(CCCO)(O)	C(CN[5]O)(CH3)(CC)(OH)	O(CC3)(H)	C(N[5]C[5,6a]C[5])(CCCO)(O)	105.9885	0.429	2	105.9885	0.184	2	105.9885	0.184	2	105.9885	0.184	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:1:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:H-1:O-1:	C(C[6a]C[6a]2)(CCHH)(CHO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(H)(O)	C(C[6a]C[6a]2)(CCHH)(CHO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(H)(O)	110.4250	0.000	1	110.4250	0.000	1	110.4250	0.000	1	110.4250	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C-3:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6]O)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[6]O)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	106.9700	0.447	2	106.9700	0.200	2	106.9700	0.200	2	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[5a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[5a]C[5a,6a]C[5a])(CF3)(COO)(OH)	O(CC[5a]CC)(H)	C(CC[5a]CO)(OC)(O)	C(C[5a]C[5a,6a]C[5a])(CF3)(COO)(OH)	O(CC[5a]CC)(H)	C(CC[5a]CO)(OC)(O)	108.4370	0.000	1	108.4370	0.000	1	108.4843	0.646	3	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[5a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[5a]C[5a]N[5a])(CF3)(COO)(OH)	O(CC[5a]CC)(H)	C(CC[5a]CO)(OC)(O)	C(C[5a]C[5a]N[5a])(CF3)(COO)(OH)	O(CC[5a]CC)(H)	C(CC[5a]CO)(OC)(O)	108.5080	1.136	2	108.5080	1.290	2	108.4843	0.646	3	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[5a]-3:C[5]-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(COO)(OH)	O(CC[5a]C[5]C)(H)	C(CC[5a]C[5]O)(OC)(O)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(COO)(OH)	O(CC[5a]C[5]C)(H)	C(CC[5a]C[5]O)(OC)(O)	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[6]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:N-2:S-1:	C(C[6]N[6]2)(CH3)(CNS)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(NC[6a])(S)	C(C[6]N[6]2)(CH3)(CNS)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(NC[6a])(S)	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:H-1:	C(C[6a]C[6a]2)(CN[6a]HH)(CHO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CN[6a]HH)(CHO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OH)(H)	103.6910	0.000	1	103.6910	0.000	1	103.6910	0.000	1	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	110.3328	1.976	4	110.3328	3.905	4	109.2597	3.954	25	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	106.0507	2.254	3	106.0507	5.081	3	109.2597	3.954	25	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CC[5a]HH)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CC[5a]HH)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	110.5530	0.000	1	110.5530	0.000	1	109.2597	3.954	25	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	110.1472	1.510	4	110.1472	2.279	4	109.2597	3.954	25	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CC[6]HN)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CC[6]HN)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	109.0940	0.000	1	109.0940	0.000	1	109.2597	3.954	25	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	109.2670	4.210	2	109.2670	17.725	2	109.2597	3.954	25	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC[6])(O)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC[6])(O)	108.6605	0.420	4	108.6605	0.176	4	109.2597	3.954	25	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CF3)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CF3)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	108.5820	0.000	1	108.5820	0.000	1	109.2597	3.954	25	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OC)(O)	109.5580	0.833	3	109.5580	0.694	3	109.2597	3.954	25	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CHHO)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OH)(O)	C(C[6a]C[6a]2)(CHHO)(COO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(OH)(O)	110.6710	0.205	2	110.6710	0.042	2	109.2597	3.954	25	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[6a]-3:C[5]-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	O(CC[6a]C[5]C)(H)	C(CC[6a]C[5]O)(OC)(O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	O(CC[6a]C[5]C)(H)	C(CC[6a]C[5]O)(OC)(O)	109.2990	0.000	1	109.2990	0.000	1	107.6707	1.995	3	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:1:	C[6a]-3:C[5]-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	O(CC[6a]C[5]C)(H)	C(CC[6a]C[5]O)(OH)(O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	O(CC[6a]C[5]C)(H)	C(CC[6a]C[5]O)(OH)(O)	106.8565	0.115	2	106.8565	0.013	2	107.6707	1.995	3	108.8516	4.262	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:2:2:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:N-2:O-2:	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NS)(OC)	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NS)(OC)	110.7760	0.000	1	110.7760	0.000	1	110.7760	0.000	1	110.7760	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:3:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CC[6a]H)(H)	108.0230	0.000	1	108.0230	0.000	1	109.4940	4.652	3	109.4942	2.219	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:3:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(CCH)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CC[6a]C)(H)	110.2295	2.461	2	110.2295	6.059	2	109.4940	4.652	3	109.4942	2.219	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:3:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:N-3:O-1:	C(C[6a]C[6a,6a]C[6a])(CF3)(CNO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NCH)(O)	C(C[6a]C[6a,6a]C[6a])(CF3)(CNO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NCH)(O)	107.3030	0.000	1	107.3030	0.000	1	109.4944	1.557	5	109.4942	2.219	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:3:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CCHO)(CNO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CCHO)(CNO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NC[6a]H)(O)	109.9080	0.000	1	109.9080	0.000	1	109.4944	1.557	5	109.4942	2.219	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:3:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CNO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CC[6a]HH)(CNO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NC[6a]H)(O)	109.9745	0.356	2	109.9745	0.127	2	109.4944	1.557	5	109.4942	2.219	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:3:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CH3)(CNO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NC[6a]H)(O)	110.3120	0.000	1	110.3120	0.000	1	109.4944	1.557	5	109.4942	2.219	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:3:3:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:N-3:N-3:	C(C[6a]C[6a]2)(CH3)(CNN)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NHH)2	C(C[6a]C[6a]2)(CH3)(CNN)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(NHH)2	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:4:1:	C-3:C-4:C-3:O-2:	C-4:H-1:	C[6]-4:C-4:O-1:	C(CC[6]O)(CH3)(COO)(OH)	O(CC3)(H)	C(C[6]C[5,6]C[6]C)(CCCO)(O)	C(CC[6]O)(CH3)(COO)(OH)	O(CC3)(H)	C(C[6]C[5,6]C[6]C)(CCCO)(O)	106.5870	0.000	1	106.5870	0.000	1	109.7000	19.382	2	108.5002	9.224	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:4:1:	C-3:C-4:C-3:O-2:	C-4:H-1:	C[6]-4:C-4:O-1:	C(CC[6]O)(CH3)(COO)(OH)	O(CC3)(H)	C(C[6]C[6]2C)(CCCO)(O)	C(CC[6]O)(CH3)(COO)(OH)	O(CC3)(H)	C(C[6]C[6]2C)(CCCO)(O)	112.8130	0.000	1	112.8130	0.000	1	109.7000	19.382	2	108.5002	9.224	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(C[6a]C[6a]2)(CCHH)(CCO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CH3)(O)	C(C[6a]C[6a]2)(CCHH)(CCO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CH3)(O)	106.1750	0.000	1	106.1750	0.000	1	107.3005	2.534	2	108.5002	9.224	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:4:1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(C[6a]C[6a]2)(CH3)(CCO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CH3)(CCO)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CC[6a]HH)(O)	108.4260	0.000	1	108.4260	0.000	1	107.3005	2.534	2	108.5002	9.224	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:1:	4:4:3:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(CCC)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CH3)(COO)	C(C[6a]C[6a]2)(CC[6a]HO)(CCC)(OH)	O(CC[6a]CC)(H)	C(CC[6a]CO)(CH3)(COO)	107.4420	0.000	1	107.4420	0.000	1	107.4420	0.000	1	107.4420	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:3:	2:4:1:	C-3:C-4:C-3:O-2:	C-4:N-3:	S-2:C-4:O-1:	C(CC[6a]O)(CH3)(COS)(ON)	O(CC3)(NCH)	C(SC[6a])(CCCO)(O)	C(CC[6a]O)(CH3)(COS)(ON)	O(CC3)(NCH)	C(SC[6a])(CCCO)(O)	105.5450	0.000	1	105.5450	0.000	1	105.5450	0.000	1	105.5450	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:3:	3:4:1:	C-3:C-4:C-3:O-2:	C-4:N-3:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CH3)(COS)(ON)	O(CC3)(NCH)	C(C[6a]C[6a]2)(CCCO)(O)	C(CC[6a]O)(CH3)(COS)(ON)	O(CC3)(NCH)	C(C[6a]C[6a]2)(CCCO)(O)	112.1420	0.000	1	112.1420	0.000	1	112.1420	0.000	1	112.1420	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:1:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(O)2	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(O)2	106.7000	0.612	2	106.7000	0.375	2	108.6186	8.594	7	108.6186	8.594	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:1:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(CF3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(O)2	C(C[6a]C[6a]2)(CF3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(O)2	109.3860	3.197	5	109.3860	10.221	5	108.6186	8.594	7	108.6186	8.594	7	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC)(O)	103.7850	0.000	1	103.7850	0.000	1	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC[6])(O)	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC[6])(O)	103.6760	0.000	1	103.6760	0.000	1	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OH)(O)	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OH)(O)	103.9610	0.000	1	103.9610	0.000	1	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CCCO)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CCCO)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OC)(O)	111.4900	0.000	1	111.4900	0.000	1	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CCHH)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CCHH)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OC)(O)	111.7570	0.000	1	111.7570	0.000	1	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CCHO)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CCHO)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OC)(O)	108.4340	0.000	1	108.4340	0.000	1	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OC)(O)	111.2035	0.274	2	111.2035	0.075	2	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	O(CC[6a]CC)(CC[6a]HO)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	O(CC[6a]CC)(CC[6a]HO)	C(CC[6a]CO)(OC)(O)	111.1640	0.000	1	111.1640	0.000	1	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	O(CC[6a]CC)(CCHO)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	O(CC[6a]CC)(CCHO)	C(CC[6a]CO)(OC)(O)	109.9110	0.000	1	109.9110	0.000	1	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OC)(O)	113.4680	0.000	1	113.4680	0.000	1	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OH)(O)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OH)(O)	107.4740	0.000	1	107.4740	0.000	1	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OC)(O)	109.3820	0.000	1	109.3820	0.000	1	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CF3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CF3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC)(O)	110.8238	2.441	6	110.8238	5.959	6	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CF3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC[5,6])(O)	C(C[6a]C[6a]2)(CF3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC[5,6])(O)	112.9440	0.000	1	112.9440	0.000	1	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CF3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC[5])(O)	C(C[6a]C[6a]2)(CF3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC[5])(O)	112.5855	0.213	2	112.5855	0.045	2	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CF3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC[6])(O)	C(C[6a]C[6a]2)(CF3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC[6])(O)	112.3182	1.464	5	112.3182	2.142	5	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CF3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OH)(O)	C(C[6a]C[6a]2)(CF3)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OH)(O)	112.4185	0.532	2	112.4185	0.284	2	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	O(CC[6a]CC)(CC[6a]HH)	C(CC[6a]CO)(OC)(O)	108.0790	0.000	1	108.0790	0.000	1	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC)(O)	109.7030	0.000	1	109.7030	0.000	1	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CHOO)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CHOO)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OC)(O)	108.5030	0.665	2	108.5030	0.442	2	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CHOO)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OH)(O)	C(C[6a]C[6a]2)(CHOO)(COO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(OH)(O)	107.3490	0.000	1	107.3490	0.000	1	110.2509	7.968	34	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:P-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OP)	O(CC[6a]CC)(PO3)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OP)	O(CC[6a]CC)(PO3)	C(CC[6a]CO)(OC)(O)	111.2540	0.000	1	111.2540	0.000	1	110.0830	2.742	2	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C-4:C-3:O-2:	C-4:P-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OP)	O(CC[6a]CC)(PO3)	C(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OP)	O(CC[6a]CC)(PO3)	C(CC[6a]CO)(OC)(O)	108.9120	0.000	1	108.9120	0.000	1	110.0830	2.742	2	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	C[6a]-3:C[5]-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2N)(COO)(OC)	O(CC[6a]C[5]C)(CC[6a]HH)	C(CC[6a]C[5]O)(OC)(O)	C(C[6a]C[6a]2)(C[5]C[5]2N)(COO)(OC)	O(CC[6a]C[5]C)(CC[6a]HH)	C(CC[6a]C[5]O)(OC)(O)	106.2640	0.000	1	106.2640	0.000	1	106.2640	0.000	1	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:2:1:	N[5a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(N[5a]C[5a,6a]2)(CH3)(COO)(OC)	O(CN[5a]CC)(CN[5a]CH)	C(CN[5a]CO)(OC)(O)	C(N[5a]C[5a,6a]2)(CH3)(COO)(OC)	O(CN[5a]CC)(CN[5a]CH)	C(CN[5a]CO)(OC)(O)	100.5813	1.019	2	100.5813	1.039	2	100.5813	1.039	2	109.6442	11.982	39	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:3:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:N-3:O-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(CNO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(NCH)(O)	C(C[6a]C[6a,6a]C[6a])(CH3)(CNO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(NCH)(O)	106.1260	0.000	1	106.1260	0.000	1	108.3629	6.663	7	108.6554	6.396	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:3:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(NCH)(O)	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(NCH)(O)	107.2450	0.000	1	107.2450	0.000	1	108.3629	6.663	7	108.6554	6.396	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:3:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(NC[6]H)(O)	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(NC[6]H)(O)	111.2330	0.000	1	111.2330	0.000	1	108.3629	6.663	7	108.6554	6.396	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:3:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(NC[6a]H)(O)	110.6335	2.336	2	110.6335	5.455	2	108.3629	6.663	7	108.6554	6.396	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:3:1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(CH3)(CNO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(OC)	O(CC[6a]CC)(CH3)	C(CC[6a]CO)(NC[6a]H)(O)	106.3345	1.223	2	106.3345	1.495	2	108.3629	6.663	7	108.6554	6.396	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:3:2:	4:4:	4:3:1:	C[6a]-3:C-4:C-3:O-2:	C-4:Si-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CF3)(CCH)(OSi)	O(CC[6a]CC)(SiC3)	C(CC[6a]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CF3)(CCH)(OSi)	O(CC[6a]CC)(SiC3)	C(CC[6a]CO)(CC[6a]H)(H)	110.7030	0.000	1	110.7030	0.000	1	110.7030	0.000	1	108.6554	6.396	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:4:2:	4:1:	2:4:3:	C-3:C-4:C-4:O-2:	C-4:H-1:	Se-2:C-4:C-3:	C(CSeC)(CH3)2(OH)	O(CC3)(H)	C(SeC[6a])(CCCO)(CCH)	C(CSeC)(CH3)2(OH)	O(CC3)(H)	C(SeC[6a])(CCCO)(CCH)	110.4175	0.206	4	110.4175	0.042	4	110.3908	0.035	5	110.3908	0.035	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:4:2:	4:1:	2:4:3:	C-3:C-4:C-4:O-2:	C-4:H-1:	Se-2:C-4:C-3:	C(CSeC)(CH3)2(OH)	O(CC3)(H)	C(SeC[6a])(CCCO)(CCS)	C(CSeC)(CH3)2(OH)	O(CC3)(H)	C(SeC[6a])(CCCO)(CCS)	110.2840	0.000	1	110.2840	0.000	1	110.3908	0.035	5	110.3908	0.035	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:4:2:	4:1:	3:3:4:	C-3:C-4:C-4:O-2:	C-4:H-1:	C[6a]-3:C-3:C-4:	C(CC[6a]C)(CH3)2(OH)	O(CC3)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCCO)	C(CC[6a]C)(CH3)2(OH)	O(CC3)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCCO)	110.5930	2.744	2	110.5930	7.527	2	110.5930	7.527	2	110.5930	7.527	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:4:2:	4:1:	3:4:1:	C-3:C-4:C-4:O-2:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CCCH)(CH3)(OH)	O(CC3)(H)	C(C[6a]C[6a]2)(CCCO)(O)	C(CC[6a]O)(CCCH)(CH3)(OH)	O(CC3)(H)	C(C[6a]C[6a]2)(CCCO)(O)	110.4110	0.000	1	110.4110	0.000	1	110.4110	0.000	1	110.4110	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:4:2:	4:1:	3:4:3:	C-3:C-4:C-4:O-2:	C-4:H-1:	C[5]-3:C-4:C-3:	C(CC[5]C)(CH3)2(OH)	O(CC3)(H)	C(C[5]C[5]2)(CCCO)(CHH)	C(CC[5]C)(CH3)2(OH)	O(CC3)(H)	C(C[5]C[5]2)(CCCO)(CHH)	109.1630	0.000	1	109.1630	0.000	1	109.1630	0.000	1	109.1630	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:4:2:	4:1:	4:4:1:	C-3:C-4:C-4:O-2:	C-4:H-1:	C[5]-4:C-4:O-1:	C(CC[5]O)(CCCH)(CCHH)(OH)	O(CC3)(H)	C(C[5]C[5]2H)(CCCO)(O)	C(CC[5]O)(CCCH)(CCHH)(OH)	O(CC3)(H)	C(C[5]C[5]2H)(CCCO)(O)	104.3970	0.000	1	104.3970	0.000	1	107.6477	8.822	3	107.6477	8.822	3	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:4:2:	4:1:	4:4:1:	C-3:C-4:C-4:O-2:	C-4:H-1:	C[5]-4:C-4:O-1:	C(CC[5]O)(CCHH)(CH3)(OH)	O(CC3)(H)	C(C[5]C[5,5,6,6]C[5]H)(CCCO)(O)	C(CC[5]O)(CCHH)(CH3)(OH)	O(CC3)(H)	C(C[5]C[5,5,6,6]C[5]H)(CCCO)(O)	109.2730	1.339	2	109.2730	1.794	2	107.6477	8.822	3	107.6477	8.822	3	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:4:2:	4:4:	4:4:2:	C-3:C-4:C-4:O-2:	Ge-4:C-4:	C-4:Si-4:C-2:	C(CSiC)(CH3)2(OGe)	O(GeC[6a]2W)(CC3)	C(CCCO)(SiC3)(CW)	C(CSiC)(CH3)2(OGe)	O(GeC[6a]2W)(CC3)	C(CCCO)(SiC3)(CW)	110.8770	0.000	1	110.8770	0.000	1	110.8770	0.000	1	109.7365	2.601	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	3:4:4:2:	4:4:	4:4:2:	C-3:C-4:C-4:O-2:	Si-4:C-4:	C-4:Si-4:C-2:	C(CSiC)(CH3)2(OSi)	O(SiC[6a]2W)(CC3)	C(CCCO)(SiC3)(CW)	C(CSiC)(CH3)2(OSi)	O(SiC[6a]2W)(CC3)	C(CCCO)(SiC3)(CW)	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	109.7365	2.601	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:2:3:1:	3:4:	4:1:1:	C-4:O-2:C-3:H-1:	N[6]-3:C-4:	C-4:H-1:O-1:	C(CC[5a]HH)(ON[6])(CHO)(H)	O(N[6]C[6]2)(CCCH)	C(CCHO)(H)(O)	C(CC[5a]HH)(ON[6])(CHO)(H)	O(N[6]C[6]2)(CCCH)	C(CCHO)(H)(O)	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:2:3:1:	4:4:	4:3:1:	C-4:O-2:C-3:H-1:	C[6]-4:C-4:	C-4:C-3:H-1:	C(CC[6]HH)(OC[6])(CCH)(H)	O(C[6]C[6]O[6]H)(CCCH)	C(CCHO)(CCH)(H)	C(CC[6]HH)(OC[6])(CCH)(H)	O(C[6]C[6]O[6]H)(CCCH)	C(CCHO)(CCH)(H)	103.1560	0.000	1	103.1560	0.000	1	109.4860	30.442	3	109.4860	30.442	3	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:2:3:1:	4:4:	4:3:1:	C-4:O-2:C-3:H-1:	C[6]-4:C-4:	C-4:C-3:H-1:	C(CC[6a]HH)(OC[6])(CCH)(H)	O(C[6]C[6]O[6]C)(CCCH)	C(CCHO)(CHH)(H)	C(CC[6a]HH)(OC[6])(CCH)(H)	O(C[6]C[6]O[6]C)(CCCH)	C(CCHO)(CHH)(H)	112.6510	0.884	2	112.6510	0.781	2	109.4860	30.442	3	109.4860	30.442	3	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	3:4:	3:4:1:	C-4:C-3:O-2:H-1:	N[6]-3:C-4:	C[6a]-3:C-4:O-1:	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	O(N[6]C[6]2)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	O(N[6]C[6]2)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	110.7350	0.000	1	110.7350	0.000	1	110.7350	0.000	1	110.6410	0.018	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	3:4:	3:4:1:	C-4:C-3:O-2:H-1:	N[6]-3:C-4:	N[5]-3:C-4:O-1:	C(CC[6a]HH)(CN[5]O)(ON[6])(H)	O(N[6]C[6]2)(CCCH)	C(N[5]C[5]2)(CCHO)(O)	C(CC[6a]HH)(CN[5]O)(ON[6])(H)	O(N[6]C[6]2)(CCCH)	C(N[5]C[5]2)(CCHO)(O)	110.5470	0.000	1	110.5470	0.000	1	110.5470	0.000	1	110.6410	0.018	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	3:4:	4:4:1:	C-4:C-3:O-2:H-1:	N-3:C-4:	C-4:C-4:O-1:	C(CC[6a]HH)(CCO)(ON)(H)	O(NC[6a]H)(CCCH)	C(CCHO)(CH3)(O)	C(CC[6a]HH)(CCO)(ON)(H)	O(NC[6a]H)(CCCH)	C(CCHO)(CH3)(O)	113.0260	0.000	1	113.0260	0.000	1	113.0260	0.000	1	113.0260	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	2:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	O-2:C-4:H-1:	C(CN[6]HH)(CHO)(OH)(H)	O(CCCH)(H)	C(OC[6a])(CCHO)(H)	C(CN[6]HH)(CHO)(OH)(H)	O(CCCH)(H)	C(OC[6a])(CCHO)(H)	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	111.0716	3.606	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	2:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	O-2:C-4:O-1:	C(CCCH)(COO)(OH)(H)	O(CCCH)(H)	C(OC[6])(CCHO)(O)	C(CCCH)(COO)(OH)(H)	O(CCCH)(H)	C(OC[6])(CCHO)(O)	111.2310	0.000	1	111.2310	0.000	1	110.9231	3.410	17	111.0716	3.606	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	2:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	O-2:C-4:O-1:	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	C(OC[6a])(CCHO)(O)	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	C(OC[6a])(CCHO)(O)	111.0502	2.486	6	111.0502	6.181	6	110.9231	3.410	17	111.0716	3.606	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	2:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	O-2:C-4:O-1:	C(CC[6a]HN)(COO)(OH)(H)	O(CCCH)(H)	C(OC[6])(CCHO)(O)	C(CC[6a]HN)(COO)(OH)(H)	O(CCCH)(H)	C(OC[6])(CCHO)(O)	110.9723	1.928	7	110.9723	3.717	7	110.9231	3.410	17	111.0716	3.606	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	2:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	O-2:C-4:O-1:	C(CH3)(COO)(OH)(H)	O(CCCH)(H)	C(OC[6])(CCHO)(O)	C(CH3)(COO)(OH)(H)	O(CCCH)(H)	C(OC[6])(CCHO)(O)	110.4517	0.491	3	110.4517	0.241	3	110.9231	3.410	17	111.0716	3.606	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CC3)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[6a]H)(CCHO)(H)	C(CC3)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[6a]H)(CCHO)(H)	109.3705	0.510	2	109.3705	0.260	2	109.8633	5.724	15	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[6a]H)(CCHO)(H)	C(CCCH)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[6a]H)(CCHO)(H)	110.1420	0.000	1	110.1420	0.000	1	109.8633	5.724	15	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[5]H)(CCHO)(H)	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[5]H)(CCHO)(H)	106.2270	0.000	1	106.2270	0.000	1	109.8633	5.724	15	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[6]H)(CCHO)(H)	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[6]H)(CCHO)(H)	109.1550	0.000	1	109.1550	0.000	1	109.8633	5.724	15	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[6a]O)(CCHO)(H)	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[6a]O)(CCHO)(H)	107.3150	0.000	1	107.3150	0.000	1	109.8633	5.724	15	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[3]H)(CCHO)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[3]H)(CCHO)(H)	111.8050	0.000	1	111.8050	0.000	1	109.8633	5.724	15	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[5]C)(CCHO)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[5]C)(CCHO)(H)	109.9570	0.000	1	109.9570	0.000	1	109.8633	5.724	15	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CClHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[6a]H)(CCHO)(H)	C(CClHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[6a]H)(CCHO)(H)	113.2910	0.000	1	113.2910	0.000	1	109.8633	5.724	15	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CFFP)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[5a]H)(CCHO)(H)	C(CFFP)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[5a]H)(CCHO)(H)	115.0060	0.000	1	115.0060	0.000	1	109.8633	5.724	15	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CH3)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[6]H)(CCHO)(H)	C(CH3)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[6]H)(CCHO)(H)	110.6337	0.762	3	110.6337	0.580	3	109.8633	5.724	15	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(CN[5]CH)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[6a]H)(CCHO)(H)	C(CN[5]CH)(CCH)(OH)(H)	O(CCCH)(H)	C(CC[6a]H)(CCHO)(H)	107.2050	0.208	2	107.2050	0.043	2	109.8633	5.724	15	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:I-1:	C(CCCH)(CCI)(OH)(H)	O(CCCH)(H)	C(CC[6a]I)(CCHO)(I)	C(CCCH)(CCI)(OH)(H)	O(CCCH)(H)	C(CC[6a]I)(CCHO)(I)	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(CC[3,6]HH)(CC[6a]O)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[3,6]HH)(CC[6a]O)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	109.5170	0.000	1	109.5170	0.000	1	108.7567	3.505	4	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(CC[5a]HH)(CC[6a]O)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[5a]HH)(CC[6a]O)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	109.8080	0.000	1	109.8080	0.000	1	108.7567	3.505	4	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]CH)(CC[6a]O)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]CH)(CC[6a]O)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	109.7470	0.000	1	109.7470	0.000	1	108.7567	3.505	4	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]N[5a]H)(CC[6a]O)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]N[5a]H)(CC[6a]O)(OH)(H)	O(CCCH)(H)	C(C[6a]C[6a]2)(CCHO)(O)	105.9550	0.000	1	105.9550	0.000	1	108.7567	3.505	4	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	N-3:C-4:O-1:	C(CCCH)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]H)(CCHO)(O)	C(CCCH)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]H)(CCHO)(O)	111.3060	1.944	7	111.3060	3.780	7	110.7643	2.847	17	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	N-3:C-4:O-1:	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[5a]H)(CCHO)(O)	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[5a]H)(CCHO)(O)	108.0690	0.000	1	108.0690	0.000	1	110.7643	2.847	17	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	N-3:C-4:O-1:	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]H)(CCHO)(O)	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]H)(CCHO)(O)	111.8180	0.000	1	111.8180	0.000	1	110.7643	2.847	17	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	N-3:C-4:O-1:	C(CCOO)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]H)(CCHO)(O)	C(CCOO)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]H)(CCHO)(O)	111.7140	0.000	1	111.7140	0.000	1	110.7643	2.847	17	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	N-3:C-4:O-1:	C(CC[6]CH)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]H)(CCHO)(O)	C(CC[6]CH)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]H)(CCHO)(O)	109.8080	0.000	1	109.8080	0.000	1	110.7643	2.847	17	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	N-3:C-4:O-1:	C(CC[6a]CH)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]H)(CCHO)(O)	C(CC[6a]CH)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]H)(CCHO)(O)	111.0545	0.238	2	111.0545	0.057	2	110.7643	2.847	17	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	N-3:C-4:O-1:	C(CC[6a]HN)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]C)(CCHO)(O)	C(CC[6a]HN)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]C)(CCHO)(O)	109.9880	0.000	1	109.9880	0.000	1	110.7643	2.847	17	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	N-3:C-4:O-1:	C(CC[6a]HN)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]H)(CCHO)(O)	C(CC[6a]HN)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]H)(CCHO)(O)	109.7250	2.761	2	109.7250	7.621	2	110.7643	2.847	17	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	N-3:C-4:O-1:	C(CC[6a]HS)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]H)(CCHO)(O)	C(CC[6a]HS)(CNO)(OH)(H)	O(CCCH)(H)	C(NC[6a]H)(CCHO)(O)	110.8950	0.000	1	110.8950	0.000	1	110.7643	2.847	17	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	N[5]-3:C-4:O-1:	C(CC[6a]HH)(CN[5]O)(OH)(H)	O(CCCH)(H)	C(N[5]C[5,5,6]S[5])(CCHO)(O)	C(CC[6a]HH)(CN[5]O)(OH)(H)	O(CCCH)(H)	C(N[5]C[5,5,6]S[5])(CCHO)(O)	109.1973	0.376	3	109.1973	0.141	3	109.1973	0.141	3	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(C[5]C[5]O[5]H)(CC[6a]O)(OH)(H)	O(CC[5]CH)(H)	C(C[6a]C[6a]2)(CC[5]HO)(O)	C(C[5]C[5]O[5]H)(CC[6a]O)(OH)(H)	O(CC[5]CH)(H)	C(C[6a]C[6a]2)(CC[5]HO)(O)	110.0768	1.289	6	110.0768	1.660	6	110.0768	1.660	6	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	N[5]-3:C-4:O-1:	C(C[5]C[5]O[5]H)(CN[5]O)(OH)(H)	O(CC[5]CH)(H)	C(N[5]C[5,5,6]S[5])(CC[5]HO)(O)	C(C[5]C[5]O[5]H)(CN[5]O)(OH)(H)	O(CC[5]CH)(H)	C(N[5]C[5,5,6]S[5])(CC[5]HO)(O)	110.9860	0.000	1	110.9860	0.000	1	110.9860	0.000	1	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(C[6]C[6]2H)(CC[6a]O)(OH)(H)	O(CC[6]CH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(O)	C(C[6]C[6]2H)(CC[6a]O)(OH)(H)	O(CC[6]CH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(O)	109.0700	0.000	1	109.0700	0.000	1	109.0700	0.000	1	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	P-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(PO3)(CCH)(OH)(H)	O(CCHP)(H)	C(CC[6]H)(CHOP)(H)	C(PO3)(CCH)(OH)(H)	O(CCHP)(H)	C(CC[6]H)(CHOP)(H)	111.5850	0.000	1	111.5850	0.000	1	112.5570	1.890	2	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:1:	P-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:H-1:	C(PO3)(CCH)(OH)(H)	O(CCHP)(H)	C(CC[6a]H)(CHOP)(H)	C(PO3)(CCH)(OH)(H)	O(CCHP)(H)	C(CC[6a]H)(CHOP)(H)	113.5290	0.000	1	113.5290	0.000	1	112.5570	1.890	2	110.1388	3.756	50	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:3:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:C-3:	C(C[5]C[5]N[5]H)(CC[6a]C)(OH)(H)	O(CC[5]CH)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCH)	C(C[5]C[5]N[5]H)(CC[6a]C)(OH)(H)	O(CC[5]CH)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCH)	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	109.2576	1.300	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:3:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C[6a]-3:C-4:C-3:	C(C[6]C[6]2H)(CC[6a]C)(OH)(H)	O(CC[6]CH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CHN)	C(C[6]C[6]2H)(CC[6a]C)(OH)(H)	O(CC[6]CH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CHN)	109.2660	1.317	4	109.2660	1.733	4	109.2660	1.733	4	109.2576	1.300	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:C-4:	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	C(CC[5]H)(CCHO)(CH3)	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	C(CC[5]H)(CCHO)(CH3)	112.6717	1.306	3	112.6717	1.705	3	112.2458	6.399	6	112.2458	6.399	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:C-4:	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	C(CC[6]H)(CCHO)(CH3)	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	C(CC[6]H)(CCHO)(CH3)	107.6130	0.000	1	107.6130	0.000	1	112.2458	6.399	6	112.2458	6.399	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:C-4:	C(CC[3]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CC[5]H)(CCHO)(CH3)	C(CC[3]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CC[5]H)(CCHO)(CH3)	114.6120	0.000	1	114.6120	0.000	1	112.2458	6.399	6	112.2458	6.399	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	3:4:4:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-3:C-4:C-4:	C(CC[6]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CC[5]H)(CCHO)(CH3)	C(CC[6]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CC[5]H)(CCHO)(CH3)	113.2350	0.000	1	113.2350	0.000	1	112.2458	6.399	6	112.2458	6.399	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:1:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:H-1:H-1:	C(CH3)(CHH)(OH)(H)	O(CCCH)(H)	C(CCHO)(H)2	C(CH3)(CHH)(OH)(H)	O(CCCH)(H)	C(CCHO)(H)2	111.9035	1.377	2	111.9035	1.895	2	111.9035	1.895	2	111.3484	2.940	239	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:1:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-1:O-1:	C(CCHH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	C(CCHH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	110.5003	2.329	22	110.5003	5.426	22	111.3438	2.955	237	111.3484	2.940	239	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:1:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-1:O-1:	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	111.4776	1.577	204	111.4776	2.485	204	111.3438	2.955	237	111.3484	2.940	239	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:1:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-1:O-1:	C(CC[5]HH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	C(CC[5]HH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	112.0950	0.000	1	112.0950	0.000	1	111.3438	2.955	237	111.3484	2.940	239	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:1:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-1:O-1:	C(CC[5]HO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	C(CC[5]HO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	112.4675	0.787	2	112.4675	0.619	2	111.3438	2.955	237	111.3484	2.940	239	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:1:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-1:O-1:	C(CCl3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	C(CCl3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	109.4130	0.000	1	109.4130	0.000	1	111.3438	2.955	237	111.3484	2.940	239	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:1:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-1:O-1:	C(CH3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	C(CH3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	108.5590	2.846	3	108.5590	8.098	3	111.3438	2.955	237	111.3484	2.940	239	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:1:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-1:O-1:	C(CHHN)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	C(CHHN)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	112.5580	0.000	1	112.5580	0.000	1	111.3438	2.955	237	111.3484	2.940	239	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:1:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-1:O-1:	C(CHHO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	C(CHHO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(O)2	110.4523	2.092	3	110.4523	4.375	3	111.3438	2.955	237	111.3484	2.940	239	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-2:H-1:	C(CCHO)(CHN)(OH)(H)	O(CCCH)(H)	C(CCHO)(NN)(H)	C(CCHO)(CHN)(OH)(H)	O(CCCH)(H)	C(CCHO)(NN)(H)	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-2:O-1:	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NC)(O)	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NC)(O)	109.3230	0.000	1	109.3230	0.000	1	109.3265	0.000	2	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-2:O-1:	C(CH3)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NC)(O)	C(CH3)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NC)(O)	109.3300	0.000	1	109.3300	0.000	1	109.3265	0.000	2	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:H-1:	C(CCHH)(CHO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(H)	C(CCHH)(CHO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(H)	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CC3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	C(CC3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	108.6395	0.453	2	108.6395	0.205	2	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CCCH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CCCH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	110.6705	0.059	2	110.6705	0.003	2	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CCCO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CCCO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	109.0055	1.640	2	109.0055	2.689	2	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CCHH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CCHH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	109.4523	0.941	4	109.4523	0.885	4	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CCHH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	C(CCHH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	110.1221	1.615	12	110.1221	2.607	12	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CCHN)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CCHN)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	111.3613	2.072	6	111.3613	4.292	6	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	110.2340	3.531	3	110.2340	12.466	3	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	C(CCHO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	110.6246	1.826	270	110.6246	3.335	270	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CC[5]HN)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CC[5]HN)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	108.9526	0.829	5	108.9526	0.688	5	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]HH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CC[6a]HH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	110.7643	3.176	3	110.7643	10.086	3	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]HH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	C(CC[6a]HH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	109.7767	1.525	7	109.7767	2.326	7	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]HN)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CC[6a]HN)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	109.7080	1.037	3	109.7080	1.076	3	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]HO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CC[6a]HO)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	110.4920	0.000	1	110.4920	0.000	1	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]N[5a]H)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CC[6a]N[5a]H)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	111.6300	0.000	1	111.6300	0.000	1	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]N[6a]H)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	C(CC[6a]N[6a]H)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	110.1440	0.000	1	110.1440	0.000	1	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CCl3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CCl3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	106.6655	0.383	2	106.6655	0.146	2	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CF3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CF3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	109.2397	1.626	9	109.2397	2.644	9	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CF3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	C(CF3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	110.4790	0.000	1	110.4790	0.000	1	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CFFH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CFFH)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	108.9710	0.000	1	108.9710	0.000	1	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CH3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CH3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	109.8080	1.479	4	109.8080	2.189	4	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CH3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	C(CH3)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	108.8158	2.167	9	108.8158	4.696	9	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CHHS)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	C(CHHS)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OC)(O)	109.2050	2.185	3	109.2050	4.776	3	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(CHHS)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	C(CHHS)(COO)(OH)(H)	O(CCCH)(H)	C(CCHO)(OH)(O)	108.5867	2.236	3	108.5867	5.000	3	110.3903	3.492	354	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[3]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[3]C[3]2H)(COO)(OH)(H)	O(CC[3]CH)(H)	C(CC[3]HO)(OC)(O)	C(C[3]C[3]2H)(COO)(OH)(H)	O(CC[3]CH)(H)	C(CC[3]HO)(OC)(O)	107.1920	0.000	1	107.1920	0.000	1	107.1920	0.000	1	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[5,6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(OH)(H)	O(CC[5,6]CH)(H)	C(CC[5,6]HO)(OC)(O)	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(OH)(H)	O(CC[5,6]CH)(H)	C(CC[5,6]HO)(OC)(O)	110.9180	0.000	1	110.9180	0.000	1	110.9180	0.000	1	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC)(O)	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC)(O)	110.8185	1.824	2	110.8185	3.326	2	109.6762	5.015	17	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC)(O)	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC)(O)	112.3365	0.200	2	112.3365	0.040	2	109.6762	5.015	17	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OH)(O)	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OH)(O)	107.0000	0.000	1	107.0000	0.000	1	109.6762	5.015	17	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5]2O)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC)(O)	C(C[5]C[5]2O)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC)(O)	109.6115	4.108	2	109.6115	16.872	2	109.6762	5.015	17	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5]O[5]C)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC)(O)	C(C[5]C[5]O[5]C)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC)(O)	107.7210	2.065	3	107.7210	4.263	3	109.6762	5.015	17	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5]O[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC)(O)	C(C[5]C[5]O[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC)(O)	108.8573	0.217	3	108.8573	0.047	3	109.6762	5.015	17	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5]O[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC[6a])(O)	C(C[5]C[5]O[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC[6a])(O)	111.6000	2.519	2	111.6000	6.344	2	109.6762	5.015	17	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5]O[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OH)(O)	C(C[5]C[5]O[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OH)(O)	109.8010	0.000	1	109.8010	0.000	1	109.6762	5.015	17	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]N[5,6]C[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC)(O)	C(C[5]N[5,6]C[5]H)(COO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(OC)(O)	109.2270	0.000	1	109.2270	0.000	1	109.6762	5.015	17	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[6]C[5,6]C[6]O)(COO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(OC)(O)	C(C[6]C[5,6]C[6]O)(COO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(OC)(O)	109.0210	0.000	1	109.0210	0.000	1	108.6214	4.980	7	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[6]C[5,6]N[6]H)(COO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(OC)(O)	C(C[6]C[5,6]N[6]H)(COO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(OC)(O)	110.0570	0.000	1	110.0570	0.000	1	108.6214	4.980	7	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[6]C[5a,6]C[6]H)(COO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(OC)(O)	C(C[6]C[5a,6]C[6]H)(COO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(OC)(O)	110.9480	0.000	1	110.9480	0.000	1	108.6214	4.980	7	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[6]C[6,6]C[6]C)(COO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(OC)(O)	C(C[6]C[6,6]C[6]C)(COO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(OC)(O)	110.0330	0.000	1	110.0330	0.000	1	108.6214	4.980	7	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(OC)(O)	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(OC)(O)	106.7637	2.225	3	106.7637	4.950	3	108.6214	4.980	7	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:2:1:	P[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:O-2:O-1:	C(P[6]O[6]2O)(COO)(OH)(H)	O(CP[6]CH)(H)	C(CP[6]HO)(OC)(O)	C(P[6]O[6]2O)(COO)(OH)(H)	O(CP[6]CH)(H)	C(CP[6]HO)(OC)(O)	111.3633	2.874	3	111.3633	8.259	3	111.3633	8.259	3	110.3251	3.639	387	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	C(CCCH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	110.2091	0.953	7	110.2091	0.908	7	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCS)(H)	C(CCCH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCS)(H)	107.3297	2.193	4	107.3297	4.810	4	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CClN)(H)	C(CCCH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CClN)(H)	107.4305	1.611	2	107.4305	2.597	2	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCCO)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHH)(H)	C(CCCO)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHH)(H)	110.0510	0.000	1	110.0510	0.000	1	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCFF)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	C(CCFF)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	111.0236	2.802	5	111.0236	7.853	5	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCC)(H)	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCC)(H)	106.9960	2.268	6	106.9960	5.142	6	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	111.1635	2.225	26	111.1635	4.952	26	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCS)(H)	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCS)(H)	108.3120	3.182	2	108.3120	10.125	2	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHN)(H)	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHN)(H)	111.1890	0.000	1	111.1890	0.000	1	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHS)(H)	C(CCHH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHS)(H)	109.4290	0.000	1	109.4290	0.000	1	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCHN)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	C(CCHN)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	110.4040	0.000	1	110.4040	0.000	1	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCC)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCC)(H)	106.1960	0.000	1	106.1960	0.000	1	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	110.9678	1.079	13	110.9678	1.164	13	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHH)(H)	C(CCHO)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHH)(H)	109.4265	1.815	2	109.4265	3.295	2	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CC[3]HH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCC)(H)	C(CC[3]HH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCC)(H)	108.3690	0.000	1	108.3690	0.000	1	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	C(CC[6]HH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	110.4200	0.000	1	110.4200	0.000	1	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHH)(H)	C(CC[6]HH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHH)(H)	109.7000	0.000	1	109.7000	0.000	1	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	C(CC[6a]CH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	105.8490	0.000	1	105.8490	0.000	1	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHH)(H)	C(CC[6a]HH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHH)(H)	113.1470	0.000	1	113.1470	0.000	1	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHS)(H)	C(CC[6a]HH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHS)(H)	109.7360	0.000	1	109.7360	0.000	1	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	C(CH3)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	109.9830	1.203	2	109.9830	1.448	2	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CHHS)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	C(CHHS)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(H)	113.1790	0.000	1	113.1790	0.000	1	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(CN[5]CH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCC)(H)	C(CN[5]CH)(CCH)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCC)(H)	110.9835	2.007	2	110.9835	4.030	2	110.1283	5.471	83	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:I-1:	C(CH3)(CCI)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHP)(I)	C(CH3)(CCI)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHP)(I)	106.8910	0.000	1	106.8910	0.000	1	106.8910	0.000	1	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:O-1:	C(CCHH)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(O)	C(CCHH)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(O)	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(CCCH)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCC)(O)	C(CCCH)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCC)(O)	107.9840	0.000	1	107.9840	0.000	1	110.5942	2.829	39	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(CCHH)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCH)(O)	C(CCHH)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCH)(O)	111.1335	0.286	2	111.1335	0.082	2	110.5942	2.829	39	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(CCHH)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NHH)(O)	C(CCHH)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NHH)(O)	112.0620	1.164	2	112.0620	1.355	2	110.5942	2.829	39	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCH)(O)	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCH)(O)	110.7165	1.385	16	110.7165	1.918	16	110.5942	2.829	39	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NHH)(O)	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NHH)(O)	112.3698	1.424	5	112.3698	2.029	5	110.5942	2.829	39	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NHN)(O)	C(CCHO)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NHN)(O)	110.5717	2.224	3	110.5717	4.946	3	110.5942	2.829	39	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(CC[6a]2H)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCC)(O)	C(CC[6a]2H)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCC)(O)	109.0000	0.000	1	109.0000	0.000	1	110.5942	2.829	39	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(CC[6a]HH)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCH)(O)	C(CC[6a]HH)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCH)(O)	110.6817	2.135	3	110.6817	4.557	3	110.5942	2.829	39	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(CH3)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCH)(O)	C(CH3)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCH)(O)	108.7240	0.208	4	108.7240	0.043	4	110.5942	2.829	39	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(CH3)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NHN)(O)	C(CH3)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NHN)(O)	108.9140	0.395	2	108.9140	0.156	2	110.5942	2.829	39	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:S-1:	C(CC[6a]CH)(CNS)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCC)(S)	C(CC[6a]CH)(CNS)(OH)(H)	O(CCCH)(H)	C(CCHO)(NCC)(S)	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C[3]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(C[3]C[3]2H)(CCH)(OH)(H)	O(CC[3]CH)(H)	C(CC[3]HO)(CCH)(H)	C(C[3]C[3]2H)(CCH)(OH)(H)	O(CC[3]CH)(H)	C(CC[3]HO)(CCH)(H)	112.2050	0.000	1	112.2050	0.000	1	112.2047	1.840	3	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C[3]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(C[3]C[3]O[3]H)(CCH)(OH)(H)	O(CC[3]CH)(H)	C(CC[3]HO)(CCH)(H)	C(C[3]C[3]O[3]H)(CCH)(OH)(H)	O(CC[3]CH)(H)	C(CC[3]HO)(CCH)(H)	112.2045	1.918	2	112.2045	3.680	2	112.2047	1.840	3	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C[5,6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(OH)(H)	O(CC[5,6]CH)(H)	C(CC[5,6]HO)(CHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(OH)(H)	O(CC[5,6]CH)(H)	C(CC[5,6]HO)(CHH)(H)	106.9105	0.982	2	106.9105	0.965	2	106.9105	0.965	2	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C[5,6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(C[5,6]C[5,6]C[5]C[6])(CNO)(OH)(H)	O(CC[5,6]CH)(H)	C(CC[5,6]HO)(NCC)(O)	C(C[5,6]C[5,6]C[5]C[6])(CNO)(OH)(H)	O(CC[5,6]CH)(H)	C(CC[5,6]HO)(NCC)(O)	105.1200	0.000	1	105.1200	0.000	1	105.1200	0.000	1	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2Fe)(CCH)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CCH)(H)	111.2050	0.000	1	111.2050	0.000	1	109.0319	11.553	15	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CCH)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CCH)(H)	C(C[5]C[5]2H)(CCH)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CCH)(H)	117.9590	0.000	1	117.9590	0.000	1	109.0319	11.553	15	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CCC)(H)	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CCC)(H)	109.7430	1.783	2	109.7430	3.180	2	109.0319	11.553	15	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CCH)(H)	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CCH)(H)	109.1210	1.669	5	109.1210	2.787	5	109.0319	11.553	15	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CHO)(H)	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CHO)(H)	106.8707	2.605	6	106.8707	6.785	6	109.0319	11.553	15	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(C[5]C[5,5]O[5]H)(CNO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(NCC)(O)	C(C[5]C[5,5]O[5]H)(CNO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(NCC)(O)	108.2910	0.000	1	108.2910	0.000	1	109.0960	1.296	2	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-1:	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(NCH)(O)	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(NCH)(O)	109.9010	0.000	1	109.9010	0.000	1	109.0960	1.296	2	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(C[6]C[6,6a]C[6]H)(CCH)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(CCC)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(CCC)(H)	107.8500	0.000	1	107.8500	0.000	1	111.2700	9.875	3	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(C[6]C[6]2H)(CCH)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(CHH)(H)	C(C[6]C[6]2H)(CCH)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(CHH)(H)	111.9300	0.000	1	111.9300	0.000	1	111.2700	9.875	3	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(C[6]C[6]O[6]H)(CCH)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(CCH)(H)	C(C[6]C[6]O[6]H)(CCH)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(CCH)(H)	114.0300	0.000	1	114.0300	0.000	1	111.2700	9.875	3	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:1:	P-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(PO3)(CCH)(OH)(H)	O(CCHP)(H)	C(CHOP)(CCH)(H)	C(PO3)(CCH)(OH)(H)	O(CCHP)(H)	C(CHOP)(CCH)(H)	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	110.1131	5.738	152	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:2:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:N-3:O-2:	C(CH3)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NHN)(OCo)	C(CH3)(CNO)(OH)(H)	O(CCCH)(H)	C(CCHO)(NHN)(OCo)	108.7355	0.359	2	108.7355	0.129	2	108.7355	0.129	2	108.9017	0.147	3	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:2:	C[4]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:C-2:	C(C[4]C[4]N[4]H)(CCC)(OH)(H)	O(CC[4]CH)(H)	C(CC[4]HO)(CHH)(CN)	C(C[4]C[4]N[4]H)(CCC)(OH)(H)	O(CC[4]CH)(H)	C(CC[4]HO)(CHH)(CN)	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	108.9017	0.147	3	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:C-3:	C(CC[6]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(CHH)	C(CC[6]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(CHH)	110.7020	0.000	1	110.7020	0.000	1	111.8693	1.054	3	111.8693	1.054	3	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:3:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:C-3:	C(CC[6]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(COO)	C(CC[6]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CCH)(COO)	112.4530	0.252	2	112.4530	0.063	2	111.8693	1.054	3	111.8693	1.054	3	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(CCCH)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(O)	C(CCCH)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(O)	113.6220	0.000	1	113.6220	0.000	1	111.1668	2.671	26	111.0129	2.565	31	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(CCCH)(CCO)(OH)(H)	O(CCCH)(H)	C(CC[6a]HH)(CCHO)(O)	C(CCCH)(CCO)(OH)(H)	O(CCCH)(H)	C(CC[6a]HH)(CCHO)(O)	108.9710	0.000	1	108.9710	0.000	1	111.1668	2.671	26	111.0129	2.565	31	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(CCCO)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(O)	C(CCCO)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(O)	108.5570	0.000	1	108.5570	0.000	1	111.1668	2.671	26	111.0129	2.565	31	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(CCHH)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(O)	C(CCHH)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(O)	110.9891	0.628	7	110.9891	0.394	7	111.1668	2.671	26	111.0129	2.565	31	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(O)	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(O)	110.0820	0.000	1	110.0820	0.000	1	111.1668	2.671	26	111.0129	2.565	31	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(O)	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(O)	111.7857	2.038	3	111.7857	4.154	3	111.1668	2.671	26	111.0129	2.565	31	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHHN)(O)	C(CCHO)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHHN)(O)	111.5932	0.757	4	111.5932	0.572	4	111.1668	2.671	26	111.0129	2.565	31	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(CC[6]HH)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CC3)(O)	C(CC[6]HH)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CC3)(O)	106.7770	0.000	1	106.7770	0.000	1	111.1668	2.671	26	111.0129	2.565	31	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(CC[6a]HH)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(O)	C(CC[6a]HH)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(O)	111.9480	0.000	1	111.9480	0.000	1	111.1668	2.671	26	111.0129	2.565	31	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(CC[6a]HO)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(O)	C(CC[6a]HO)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(O)	110.2915	0.190	2	110.2915	0.036	2	111.1668	2.671	26	111.0129	2.565	31	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(CH3)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHHP)(O)	C(CH3)(CCO)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHHP)(O)	112.7858	0.713	4	112.7858	0.509	4	111.1668	2.671	26	111.0129	2.565	31	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:1:	C[3]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(C[3]C[3]2H)(CCO)(OH)(H)	O(CC[3]CH)(H)	C(CC[3]HO)(CCCH)(O)	C(C[3]C[3]2H)(CCO)(OH)(H)	O(CC[3]CH)(H)	C(CC[3]HO)(CCCH)(O)	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	111.0129	2.565	31	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:1:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(C[5]C[5,6a]N[5]H)(CCO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CH3)(O)	C(C[5]C[5,6a]N[5]H)(CCO)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CH3)(O)	111.2910	1.245	2	111.2910	1.549	2	111.2910	1.549	2	111.0129	2.565	31	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:1:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:O-1:	C(C[6]C[6,6a]2C)(CCO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HH)(CC[6]HO)(O)	C(C[6]C[6,6a]2C)(CCO)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HH)(CC[6]HO)(O)	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1	111.0129	2.565	31	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:1:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C[5]-4:C-4:O-1:	C(C[6]C[6]O[6]C)(CC[5]O)(OH)(H)	O(CC[6]CH)(H)	C(C[5]C[5]2O)(CC[6]HO)(O)	C(C[6]C[6]O[6]C)(CC[5]O)(OH)(H)	O(CC[6]CH)(H)	C(C[5]C[5]2O)(CC[6]HO)(O)	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	111.0129	2.565	31	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:2:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-2:	C(CHHO)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CC)	C(CHHO)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CC)	111.3910	0.000	1	111.3910	0.000	1	111.3910	0.000	1	111.3910	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CCH)	C(CCCH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CCH)	110.4225	1.459	4	110.4225	2.129	4	110.6494	2.742	35	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCCH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CHH)	C(CCCH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CHH)	109.3980	0.000	1	109.3980	0.000	1	110.6494	2.742	35	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCCH)(CCHO)(CHH)	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCCH)(CCHO)(CHH)	113.5570	0.000	1	113.5570	0.000	1	110.6494	2.742	35	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(CHH)	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(CHH)	112.4430	0.000	1	112.4430	0.000	1	110.6494	2.742	35	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CCH)	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CCH)	109.5110	2.208	4	109.5110	4.877	4	110.6494	2.742	35	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CHH)	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CHH)	110.4163	2.815	3	110.4163	7.926	3	110.6494	2.742	35	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	C(CC[5]HH)(CCHO)(CHH)	C(CCHH)(CCC)(OH)(H)	O(CCCH)(H)	C(CC[5]HH)(CCHO)(CHH)	109.0075	0.675	2	109.0075	0.456	2	110.6494	2.742	35	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCHO)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CCH)	C(CCHO)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CCH)	111.0005	1.853	2	111.0005	3.435	2	110.6494	2.742	35	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CCHO)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHHO)(CHH)	C(CCHO)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CHHO)(CHH)	110.5660	0.000	1	110.5660	0.000	1	110.6494	2.742	35	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CC[3]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CCH)	C(CC[3]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CCH)	110.2650	0.000	1	110.2650	0.000	1	110.6494	2.742	35	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CC[5]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CCH)	C(CC[5]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CCH)	111.5413	0.956	12	111.5413	0.915	12	110.6494	2.742	35	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CC[6]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(CHH)	C(CC[6]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHH)(CCHO)(CHH)	108.9095	0.296	2	108.9095	0.088	2	110.6494	2.742	35	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(CC[6]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CCH)	C(CC[6]HH)(CCC)(OH)(H)	O(CCCH)(H)	C(CCHO)(CH3)(CCH)	109.1850	0.000	1	109.1850	0.000	1	110.6494	2.742	35	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	C[5]-4:C-4:C-3:	C(CC[5]HH)(CC[5]C)(OH)(H)	O(CCCH)(H)	C(C[5]C[5]2H)(CCHO)(CHH)	C(CC[5]HH)(CC[5]C)(OH)(H)	O(CCCH)(H)	C(C[5]C[5]2H)(CCHO)(CHH)	112.1240	0.000	1	112.1240	0.000	1	112.1240	0.000	1	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:H-1:	P-4:C-4:C-3:	C(COsCH)(CCP)(OH)(H)	O(CCCH)(H)	C(PC[6a]3)(CCHO)(COsH)	C(COsCH)(CCP)(OH)(H)	O(CCCH)(H)	C(PC[6a]3)(CCHO)(COsH)	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C[5,5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(C[5,5]C[5,5]C[5]O[5])(CCC)(OH)(H)	O(CC[5,5]CH)(H)	C(CC[5,5]HO)(CHHS)(CCH)	C(C[5,5]C[5,5]C[5]O[5])(CCC)(OH)(H)	O(CC[5,5]CH)(H)	C(CC[5,5]HO)(CHHS)(CCH)	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(C[5]C[5]2H)(CCC)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CCHH)(CHH)	C(C[5]C[5]2H)(CCC)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CCHH)(CHH)	107.1750	0.608	4	107.1750	0.370	4	109.1106	11.627	8	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(C[5]C[5]2O)(CCC)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CH3)(CCH)	C(C[5]C[5]2O)(CCC)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CH3)(CCH)	107.6400	0.395	2	107.6400	0.156	2	109.1106	11.627	8	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CH3)(CHI)	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CH3)(CHI)	115.8200	0.000	1	115.8200	0.000	1	109.1106	11.627	8	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CHHO)(CCH)	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	O(CC[5]CH)(H)	C(CC[5]HO)(CHHO)(CCH)	113.0850	0.000	1	113.0850	0.000	1	109.1106	11.627	8	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C[5]-4:C-3:O-2:H-1:	C-4:H-1:	C[6]-4:C-4:C-3:	C(C[5]C[5]N[5]H)(CC[6]C)(OH)(H)	O(CC[5]CH)(H)	C(C[6]C[6]2H)(CC[5]HO)(CCH)	C(C[5]C[5]N[5]H)(CC[6]C)(OH)(H)	O(CC[5]CH)(H)	C(C[6]C[6]2H)(CC[5]HO)(CCH)	107.1570	0.000	1	107.1570	0.000	1	107.1570	0.000	1	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:1:	4:4:3:	C[6]-4:C-3:O-2:H-1:	C-4:H-1:	C-4:C-4:C-3:	C(C[6]C[6]2H)(CCC)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(CCHH)(CHH)	C(C[6]C[6]2H)(CCC)(OH)(H)	O(CC[6]CH)(H)	C(CC[6]HO)(CCHH)(CHH)	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	110.3017	4.525	48	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:2:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:O-2:	C-4:C-4:C-3:	C(CC[5]HH)(CCC)(OO)(H)	O(CCCH)(OC)	C(CCHH)(CCHO)(CHH)	C(CC[5]HH)(CCC)(OO)(H)	O(CCCH)(OC)	C(CCHH)(CCHO)(CHH)	107.0300	0.000	1	107.0300	0.000	1	104.3385	14.488	2	104.3385	14.488	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:2:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:O-2:	C-4:C-4:C-3:	C(CC[5]HH)(CCC)(OO)(H)	O(CCCH)(OH)	C(CCHH)(CCHO)(CHH)	C(CC[5]HH)(CCC)(OO)(H)	O(CCCH)(OH)	C(CCHH)(CCHO)(CHH)	101.6470	0.000	1	101.6470	0.000	1	104.3385	14.488	2	104.3385	14.488	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:3:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:N-3:	C-4:N-3:O-1:	C(CCCH)(CNO)(ON)(H)	O(CCCH)(NCH)	C(CCHO)(NHO)(O)	C(CCCH)(CNO)(ON)(H)	O(CCCH)(NCH)	C(CCHO)(NHO)(O)	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-3:C-4:H-1:	C(CC3)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CC[6]H)(CCHO)(H)	C(CC3)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CC[6]H)(CCHO)(H)	108.6470	0.000	1	108.6470	0.000	1	112.1552	5.491	4	111.6361	2.907	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-3:C-4:H-1:	C(CCHN)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CC[6a]H)(CCHO)(H)	C(CCHN)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CC[6a]H)(CCHO)(H)	113.2180	0.000	1	113.2180	0.000	1	112.1552	5.491	4	111.6361	2.907	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-3:C-4:H-1:	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CC[6a]H)(CCHO)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CC[6a]H)(CCHO)(H)	113.2280	0.000	1	113.2280	0.000	1	112.1552	5.491	4	111.6361	2.907	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-3:C-4:H-1:	C(CH3)(CCH)(OC)(H)	O(CC[5]CH)(CCCH)	C(CC[5]H)(CCHO)(H)	C(CH3)(CCH)(OC)(H)	O(CC[5]CH)(CCCH)	C(CC[5]H)(CCHO)(H)	113.5280	0.000	1	113.5280	0.000	1	112.1552	5.491	4	111.6361	2.907	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C[6a]-3:C-4:O-1:	C(CC[5a]HO)(CC[6a]O)(OC)(H)	O(CC[6a]2H)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[5a]HO)(CC[6a]O)(OC)(H)	O(CC[6a]2H)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	111.7330	0.000	1	111.7330	0.000	1	111.9608	0.475	4	111.6361	2.907	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]HO)(CC[6a]O)(OC)(H)	O(CC[6a]2H)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	O(CC[6a]2H)(CCCH)	C(C[6a]C[6a]2)(CCHO)(O)	112.0367	0.823	3	112.0367	0.678	3	111.9608	0.475	4	111.6361	2.907	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	N-3:C-4:O-1:	C(CCHO)(CNO)(OC)(H)	O(CCCH)(CH3)	C(NC[6a]H)(CCHO)(O)	C(CCHO)(CNO)(OC)(H)	O(CCCH)(CH3)	C(NC[6a]H)(CCHO)(O)	111.8100	0.000	1	111.8100	0.000	1	111.4165	0.310	2	111.6361	2.907	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	N-3:C-4:O-1:	C(CC[6a]HN)(CNO)(OC)(H)	O(CCCH)(CCHH)	C(NC[6a]C)(CCHO)(O)	C(CC[6a]HN)(CNO)(OC)(H)	O(CCCH)(CCHH)	C(NC[6a]C)(CCHO)(O)	111.0230	0.000	1	111.0230	0.000	1	111.4165	0.310	2	111.6361	2.907	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	N[5]-3:C-4:O-1:	C(CC[6a]HO)(CN[5]O)(OC)(H)	O(CC[6a]HH)(CCCH)	C(N[5]C[5]2)(CCHO)(O)	C(CC[6a]HO)(CN[5]O)(OC)(H)	O(CC[6a]HH)(CCCH)	C(N[5]C[5]2)(CCHO)(O)	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	111.6361	2.907	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:S-4:	N-3:C-4:O-1:	C(CCCH)(CNO)(OS)(H)	O(CCCH)(SCOO)	C(NC[6a]H)(CCHO)(O)	C(CCCH)(CNO)(OS)(H)	O(CCCH)(SCOO)	C(NC[6a]H)(CCHO)(O)	113.1790	0.000	1	113.1790	0.000	1	110.9747	5.420	3	111.6361	2.907	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	3:4:1:	C-4:C-3:O-2:H-1:	C-4:S-4:	N-3:C-4:O-1:	C(CH3)(CNO)(OS)(H)	O(CCCH)(SCOO)	C(NC[6a]H)(CCHO)(O)	C(CH3)(CNO)(OS)(H)	O(CCCH)(SCOO)	C(NC[6a]H)(CCHO)(O)	109.8725	1.884	2	109.8725	3.551	2	110.9747	5.420	3	111.6361	2.907	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	3:4:1:	C[5]-4:C-3:O-2:H-1:	C-4:S-4:	N[5]-3:C-4:O-1:	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	O(CC[5]CH)(SCOO)	C(N[5]C[5]2)(CC[5]HO)(O)	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	O(CC[5]CH)(SCOO)	C(N[5]C[5]2)(CC[5]HO)(O)	109.6850	0.000	1	109.6850	0.000	1	109.6850	0.000	1	111.6361	2.907	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	3:4:1:	C[5]-4:C-3:O-2:H-1:	N[6]-4:C-4:	C[6a]-3:C-4:O-1:	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	O(N[6]C[6]2H)(CC[5]CH)	C(C[6a]C[6a]2)(CC[5]HO)(O)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	O(N[6]C[6]2H)(CC[5]CH)	C(C[6a]C[6a]2)(CC[5]HO)(O)	114.0530	0.000	1	114.0530	0.000	1	114.0530	0.000	1	111.6361	2.907	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	3:4:3:	C[5]-4:C-3:O-2:H-1:	C-4:C-4:	C[6a]-3:C-4:C-3:	C(C[5]C[5]N[5]H)(CC[6a]C)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	C(C[6a]C[6a]2)(CC[5]HO)(CCH)	C(C[5]C[5]N[5]H)(CC[6a]C)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	C(C[6a]C[6a]2)(CC[5]HO)(CCH)	110.5230	0.000	1	110.5230	0.000	1	110.5230	0.000	1	110.5230	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:1:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:O-1:O-1:	C(CCCH)(COO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(O)2	C(CCCH)(COO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(O)2	111.2490	0.288	2	111.2490	0.083	2	111.2490	0.083	2	111.2490	0.083	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-2:H-1:	C(CC[5]HH)(CCH)(OC)(H)	O(CCCH)2	C(CCHO)(CC)(H)	C(CC[5]HH)(CCH)(OC)(H)	O(CCCH)2	C(CCHO)(CC)(H)	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(CCHO)(COO)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(OH)(O)	C(CCHO)(COO)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(OH)(O)	111.8170	0.000	1	111.8170	0.000	1	111.4850	0.726	3	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(CCHO)(COO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(OC)(O)	C(CCHO)(COO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(OC)(O)	112.1210	0.000	1	112.1210	0.000	1	111.4850	0.726	3	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(CH3)(COO)(OC)(H)	O(CC[6]HH)(CCCH)	C(CCHO)(OH)(O)	C(CH3)(COO)(OC)(H)	O(CC[6]HH)(CCCH)	C(CCHO)(OH)(O)	110.5170	0.000	1	110.5170	0.000	1	111.4850	0.726	3	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:S-2:O-1:	C(CC[6a]HO)(COS)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(SC)(O)	C(CC[6a]HO)(COS)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(SC)(O)	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:O-2:O-1:	C(CCHH)(COO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(OC)(O)	C(CCHH)(COO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(OC)(O)	109.4130	0.000	1	109.4130	0.000	1	109.6545	0.117	2	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:O-2:O-1:	C(CN[5]CH)(COO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(OC)(O)	C(CN[5]CH)(COO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(OC)(O)	109.8960	0.000	1	109.8960	0.000	1	109.6545	0.117	2	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C-4:C-3:O-2:H-1:	S-4:C-4:	C-4:O-2:O-1:	C(CCHH)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	C(CCHO)(OC)(O)	C(CCHH)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	C(CCHO)(OC)(O)	111.5640	0.000	1	111.5640	0.000	1	109.8922	4.026	5	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C-4:C-3:O-2:H-1:	S-4:C-4:	C-4:O-2:O-1:	C(CCHO)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	C(CCHO)(OC)(O)	C(CCHO)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	C(CCHO)(OC)(O)	110.4340	1.943	2	110.4340	3.776	2	109.8922	4.026	5	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C-4:C-3:O-2:H-1:	S-4:C-4:	C-4:O-2:O-1:	C(CC[5a]HH)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	C(CCHO)(OC)(O)	C(CC[5a]HH)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	C(CCHO)(OC)(O)	110.1190	0.000	1	110.1190	0.000	1	109.8922	4.026	5	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C-4:C-3:O-2:H-1:	S-4:C-4:	C-4:O-2:O-1:	C(CH3)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	C(CCHO)(OC)(O)	C(CH3)(COO)(OS)(H)	O(SC[6a]OO)(CCCH)	C(CCHO)(OC)(O)	106.9100	0.000	1	106.9100	0.000	1	109.8922	4.026	5	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C-4:C-3:O-2:H-1:	Si-4:C-4:	C-4:O-2:O-1:	C(CCHH)(COO)(OSi)(H)	O(SiCCO)(CCCH)	C(CCHO)(OC)(O)	C(CCHH)(COO)(OSi)(H)	O(SiCCO)(CCCH)	C(CCHO)(OC)(O)	107.1365	0.258	2	107.1365	0.067	2	109.9527	10.631	4	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C-4:C-3:O-2:H-1:	Si-4:C-4:	C-4:O-2:O-1:	C(CC[6a]HN)(COO)(OSi)(H)	O(SiC[6a]3)(CCCH)	C(CCHO)(OC)(O)	C(CC[6a]HN)(COO)(OSi)(H)	O(SiC[6a]3)(CCCH)	C(CCHO)(OC)(O)	112.7690	0.317	2	112.7690	0.100	2	109.9527	10.631	4	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C[3,6]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(C[3,6]C[3,6]C[6]O[3])(COO)(OC)(H)	O(CC[3,6]CH)(CH3)	C(CC[3,6]HO)(OC)(O)	C(C[3,6]C[3,6]C[6]O[3])(COO)(OC)(H)	O(CC[3,6]CH)(CH3)	C(CC[3,6]HO)(OC)(O)	108.7710	0.000	1	108.7710	0.000	1	108.7710	0.000	1	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C[3]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:P-2:Br-1:	C(C[3]C[3]2H)(CBrP)(OC)(H)	O(CC[3]CH)(CH3)	C(CC[3]HO)(PC[6a])(Br)	C(C[3]C[3]2H)(CBrP)(OC)(H)	O(CC[3]CH)(CH3)	C(CC[3]HO)(PC[6a])(Br)	112.5970	0.000	1	112.5970	0.000	1	112.5970	0.000	1	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C[4]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:O-2:O-1:	C(C[4]C[4]2O)(COO)(OC)(H)	O(CC[4]CH)(CCCH)	C(CC[4]HO)(OC)(O)	C(C[4]C[4]2O)(COO)(OC)(H)	O(CC[4]CH)(CCCH)	C(CC[4]HO)(OC)(O)	110.5960	0.000	1	110.5960	0.000	1	110.5960	0.000	1	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C[5]-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:O-2:O-1:	C(C[5]C[5]2H)(COO)(OSi)(H)	O(CC[5]CH)(SiC3)	C(CC[5]HO)(OC)(O)	C(C[5]C[5]2H)(COO)(OSi)(H)	O(CC[5]CH)(SiC3)	C(CC[5]HO)(OC)(O)	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C[6]-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:O-2:O-1:	C(C[6]C[6]2H)(COO)(OSi)(H)	O(CC[6]CH)(SiC3)	C(CC[6]HO)(OC)(O)	C(C[6]C[6]2H)(COO)(OSi)(H)	O(CC[6]CH)(SiC3)	C(CC[6]HO)(OC)(O)	109.9730	0.000	1	109.9730	0.000	1	109.9730	0.000	1	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:2:1:	C[6]-4:C-3:O-2:H-1:	S-4:C-4:	C-4:O-2:O-1:	C(C[6]C[6]O[6]C)(COO)(OS)(H)	O(SC[6a]OO)(CC[6]CH)	C(CC[6]HO)(OC)(O)	C(C[6]C[6]O[6]C)(COO)(OS)(H)	O(SC[6a]OO)(CC[6]CH)	C(CC[6]HO)(OC)(O)	110.5320	0.000	1	110.5320	0.000	1	110.5320	0.000	1	110.2670	3.162	22	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CC3)(CCH)(OC)(H)	O(CCCH)(CHHO)	C(CCHO)(CCH)(H)	C(CC3)(CCH)(OC)(H)	O(CCCH)(CHHO)	C(CCHO)(CCH)(H)	109.9790	0.000	1	109.9790	0.000	1	110.0158	4.740	25	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCCH)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CHO)(H)	C(CCCH)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CHO)(H)	109.7005	2.051	11	109.7005	4.205	11	110.0158	4.740	25	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CCHH)	C(CCHO)(CCH)(H)	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CCHH)	C(CCHO)(CCH)(H)	105.7020	0.000	1	105.7020	0.000	1	110.0158	4.740	25	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CCC)(H)	C(CCHH)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CCC)(H)	112.3240	0.779	2	112.3240	0.607	2	110.0158	4.740	25	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CCH)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CCH)(H)	110.9934	1.637	5	110.9934	2.681	5	110.0158	4.740	25	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CHH)(H)	C(CCHO)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CHH)(H)	113.2530	0.000	1	113.2530	0.000	1	110.0158	4.740	25	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CC[6a]2C)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CRuH)(H)	C(CC[6a]2C)(CCH)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CRuH)(H)	110.8490	0.000	1	110.8490	0.000	1	110.0158	4.740	25	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(CH3)(CCH)(OC)(H)	O(CCCH)2	C(CCHO)(CCH)(H)	C(CH3)(CCH)(OC)(H)	O(CCCH)2	C(CCHO)(CCH)(H)	108.0973	1.230	3	108.0973	1.513	3	110.0158	4.740	25	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:O-1:	C(CC[6a]HO)(CCO)(OC)(H)	O(CCCH)(CCHH)	C(CCHO)(CCH)(O)	C(CC[6a]HO)(CCO)(OC)(H)	O(CCCH)(CCHH)	C(CCHO)(CCH)(O)	113.8760	0.000	1	113.8760	0.000	1	113.8760	0.000	1	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:N-3:O-1:	C(CCHH)(CNO)(OC)(H)	O(CCCH)(CCHH)	C(CCHO)(NHH)(O)	C(CCHH)(CNO)(OC)(H)	O(CCCH)(CCHH)	C(CCHO)(NHH)(O)	110.3310	0.000	1	110.3310	0.000	1	111.8989	2.972	7	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:N-3:O-1:	C(CCHH)(CNO)(OC)(H)	O(CCCH)2	C(CCHO)(NCC)(O)	C(CCHH)(CNO)(OC)(H)	O(CCCH)2	C(CCHO)(NCC)(O)	112.7100	0.000	1	112.7100	0.000	1	111.8989	2.972	7	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:N-3:O-1:	C(CCHO)(CNO)(OC)(H)	O(CCCH)(CCHH)	C(CCHO)(NCH)(O)	C(CCHO)(CNO)(OC)(H)	O(CCCH)(CCHH)	C(CCHO)(NCH)(O)	111.9010	2.172	4	111.9010	4.718	4	111.8989	2.972	7	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:N-3:O-1:	C(CC[6a]HH)(CNO)(OC)(H)	O(CCCH)(CHHO)	C(CCHO)(NCH)(O)	C(CC[6a]HH)(CNO)(OC)(H)	O(CCCH)(CHHO)	C(CCHO)(NCH)(O)	112.6470	0.000	1	112.6470	0.000	1	111.8989	2.972	7	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-3:H-1:	C(CCCH)(CCH)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(CCS)(H)	C(CCCH)(CCH)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(CCS)(H)	107.3775	0.285	2	107.3775	0.081	2	106.7860	1.090	3	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-3:H-1:	C(CC[6a]CH)(CCH)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(CCH)(H)	C(CC[6a]CH)(CCH)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(CCH)(H)	105.6030	0.000	1	105.6030	0.000	1	106.7860	1.090	3	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:N-3:O-1:	C(CH3)(CNO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(NCH)(O)	C(CH3)(CNO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(NCH)(O)	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C-4:C-3:O-2:H-1:	Si-4:C-4:	C-4:C-3:H-1:	C(CCHH)(CCH)(OSi)(H)	O(SiC[6a]2C)(CCCH)	C(CCHO)(CCH)(H)	C(CCHH)(CCH)(OSi)(H)	O(SiC[6a]2C)(CCCH)	C(CCHO)(CCH)(H)	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(C[5]C[5,5]C[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CH3)	C(CC[5]HO)(CC[5]H)(H)	C(C[5]C[5,5]C[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CH3)	C(CC[5]HO)(CC[5]H)(H)	112.5590	0.000	1	112.5590	0.000	1	111.4070	5.215	6	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(C[5]C[5,6a]C[6a]C[5])(CCH)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	C(CC[5]HO)(CHH)(H)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	C(CC[5]HO)(CHH)(H)	111.6130	0.000	1	111.6130	0.000	1	111.4070	5.215	6	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CCH)(OC)(H)	O(CC[5]CH)(CCHH)	C(CC[5]HO)(CC[3]H)(H)	C(C[5]C[5]2H)(CCH)(OC)(H)	O(CC[5]CH)(CCHH)	C(CC[5]HO)(CC[3]H)(H)	106.8640	0.000	1	106.8640	0.000	1	111.4070	5.215	6	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(C[5]C[5]N[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CH3)	C(CC[5]HO)(CCH)(H)	C(C[5]C[5]N[5]H)(CCH)(OC)(H)	O(CC[5]CH)(CH3)	C(CC[5]HO)(CCH)(H)	112.7690	0.380	2	112.7690	0.145	2	111.4070	5.215	6	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C[5]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(C[5]C[5]O[5]H)(CCH)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	C(CC[5]HO)(CHH)(H)	C(C[5]C[5]O[5]H)(CCH)(OC)(H)	O(CC[6a]HH)(CC[5]CH)	C(CC[5]HO)(CHH)(H)	111.8680	0.000	1	111.8680	0.000	1	111.4070	5.215	6	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C[6]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(C[6]C[5,6]C[6]H)(CCH)(OC)(H)	O(CC[6]CH)(CHHO)	C(CC[6]HO)(CCH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(OC)(H)	O(CC[6]CH)(CHHO)	C(CC[6]HO)(CCH)(H)	111.4710	0.000	1	111.4710	0.000	1	108.7110	15.235	2	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C[6]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-3:H-1:	C(C[6]C[6,6]C[6]H)(CCH)(OC)(H)	O(CC[6]CH)(CCHH)	C(CC[6]HO)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CCH)(OC)(H)	O(CC[6]CH)(CCHH)	C(CC[6]HO)(CC[6]H)(H)	105.9510	0.000	1	105.9510	0.000	1	108.7110	15.235	2	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C[6]-4:C-3:O-2:H-1:	C-4:C-4:	C-4:N-3:O-1:	C(C[6]C[6]O[6]H)(CNO)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	C(CC[6]HO)(NCO)(O)	C(C[6]C[6]O[6]H)(CNO)(OC)(H)	O(CC[6a]HH)(CC[6]CH)	C(CC[6]HO)(NCO)(O)	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C[6]-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-3:H-1:	C(C[6]C[6]2H)(CCH)(OSi)(H)	O(CC[6]CH)(SiC3)	C(CC[6]HO)(CHH)(H)	C(C[6]C[6]2H)(CCH)(OSi)(H)	O(CC[6]CH)(SiC3)	C(CC[6]HO)(CHH)(H)	109.6665	0.730	2	109.6665	0.534	2	110.9832	1.181	6	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:1:	C[6]-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-3:H-1:	C(C[6]C[6]O[6]N)(CCH)(OSi)(H)	O(CC[6]CH)(SiC3)	C(CC[6]HO)(CHH)(H)	C(C[6]C[6]O[6]N)(CCH)(OSi)(H)	O(CC[6]CH)(SiC3)	C(CC[6]HO)(CHH)(H)	111.6415	0.237	4	111.6415	0.056	4	110.9832	1.181	6	110.4285	5.130	53	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:3:3:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-3:N-3:	C(CCCH)(CCN)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(CHH)(NOO)	C(CCCH)(CCN)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(CHH)(NOO)	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-4:O-1:	C(CC3)(CCO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHH)(CCHO)(O)	C(CC3)(CCO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHH)(CCHO)(O)	113.2330	0.000	1	113.2330	0.000	1	112.6557	0.814	8	112.0684	1.457	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-4:O-1:	C(CCCO)(CCO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(CH3)(O)	C(CCCO)(CCO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(CH3)(O)	113.2180	0.000	1	113.2180	0.000	1	112.6557	0.814	8	112.0684	1.457	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-4:O-1:	C(CC[6]HH)(CCO)(OC)(H)	O(CCCH)(CH3)	C(CCHH)(CCHO)(O)	C(CC[6]HH)(CCO)(OC)(H)	O(CCCH)(CH3)	C(CCHH)(CCHO)(O)	112.0425	0.939	4	112.0425	0.881	4	112.6557	0.814	8	112.0684	1.457	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-4:O-1:	C(CC[6a]HO)(CCO)(OC)(H)	O(CCCH)(CCHH)	C(CCHH)(CCHO)(O)	C(CC[6a]HO)(CCO)(OC)(H)	O(CCCH)(CCHH)	C(CCHH)(CCHO)(O)	113.4530	0.000	1	113.4530	0.000	1	112.6557	0.814	8	112.0684	1.457	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-4:O-1:	C(CH3)(CCO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCCH)(CCHO)(O)	C(CH3)(CCO)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCCH)(CCHO)(O)	113.1720	0.000	1	113.1720	0.000	1	112.6557	0.814	8	112.0684	1.457	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:C-4:	C[6]-4:C-4:O-1:	C(CC[6a]HO)(CC[6]O)(OC)(H)	O(CCCH)(CCHH)	C(C[6]C[6]2H)(CCHO)(O)	C(CC[6a]HO)(CC[6]O)(OC)(H)	O(CCCH)(CCHH)	C(C[6]C[6]2H)(CCHO)(O)	112.9730	0.000	1	112.9730	0.000	1	112.9730	0.000	1	112.0684	1.457	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:1:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-4:O-1:	C(CCHO)(CCO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHH)(CCHO)(O)	C(CCHO)(CCO)(OSi)(H)	O(CCCH)(SiC3)	C(CCHH)(CCHO)(O)	111.4548	1.001	4	111.4548	1.002	4	111.4548	1.002	4	112.0684	1.457	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:1:	C-4:C-3:O-2:H-1:	Si-4:C-4:	C-4:C-4:O-1:	C(CCHH)(CCO)(OSi)(H)	O(SiCCO)(CCCH)	C(CCCH)(CCHO)(O)	C(CCHH)(CCO)(OSi)(H)	O(SiCCO)(CCCH)	C(CCCH)(CCHO)(O)	111.3030	0.000	1	111.3030	0.000	1	111.3030	0.000	1	112.0684	1.457	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:1:	C[5]-4:C-3:O-2:H-1:	C-4:S-4:	C-4:C-4:O-1:	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	O(CC[5]CH)(SCOO)	C(CC[5]HO)(CH3)(O)	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	O(CC[5]CH)(SCOO)	C(CC[5]HO)(CH3)(O)	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	112.0684	1.457	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:1:	C[6]-4:C-3:O-2:H-1:	C-4:C-4:	C[6]-4:C-4:O-1:	C(C[6]C[6]2H)(CC[6]O)(OC)(H)	O(CC[6]CH)(CH3)	C(C[6]C[6]2H)(CC[6]HO)(O)	C(C[6]C[6]2H)(CC[6]O)(OC)(H)	O(CC[6]CH)(CH3)	C(C[6]C[6]2H)(CC[6]HO)(O)	112.4000	0.000	1	112.4000	0.000	1	112.4000	0.000	1	112.0684	1.457	16	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:2:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-4:N-2:	C(CCHH)(CCN)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(CH3)(NN)	C(CCHH)(CCN)(OC)(H)	O(CC[6a]HH)(CCCH)	C(CCHO)(CH3)(NN)	110.9530	0.000	1	110.9530	0.000	1	110.9530	0.000	1	110.9530	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-4:C-3:	C(CCHH)(CCC)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CH3)(CCH)	C(CCHH)(CCC)(OC)(H)	O(CCCH)(CH3)	C(CCHO)(CH3)(CCH)	112.5160	0.000	1	112.5160	0.000	1	111.9585	0.622	2	111.5133	0.659	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:C-4:	C-4:C-4:C-3:	C(CC[5]HH)(CCC)(OC)(H)	O(CCCH)(CC3)	C(CCHH)(CCHO)(CHH)	C(CC[5]HH)(CCC)(OC)(H)	O(CCCH)(CC3)	C(CCHH)(CCHO)(CHH)	111.4010	0.000	1	111.4010	0.000	1	111.9585	0.622	2	111.5133	0.659	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-4:C-3:	C(CCCH)(CCC)(OSi)(H)	O(CCCH)(SiC3)	C(CCCH)(CCHO)(CHH)	C(CCCH)(CCC)(OSi)(H)	O(CCCH)(SiC3)	C(CCCH)(CCHO)(CHH)	111.4210	0.000	1	111.4210	0.000	1	111.8710	0.405	2	111.5133	0.659	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:3:	C-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-4:C-3:	C(CCHO)(CCC)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(CH3)(CHH)	C(CCHO)(CCC)(OSi)(H)	O(CCCH)(SiC3)	C(CCHO)(CH3)(CHH)	112.3210	0.000	1	112.3210	0.000	1	111.8710	0.405	2	111.5133	0.659	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	4:4:	4:4:3:	C[6]-4:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-4:C-3:	C(C[6]C[6]2H)(CCC)(OSi)(H)	O(CC[6]CH)(SiC3)	C(CC[6]HO)(CH3)(CCH)	C(C[6]C[6]2H)(CCC)(OSi)(H)	O(CC[6]CH)(SiC3)	C(CC[6]HO)(CH3)(CCH)	110.7105	0.573	2	110.7105	0.329	2	110.7105	0.329	2	111.5133	0.659	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:1:	5:4:	4:1:1:	C-4:C-3:O-2:H-1:	P-5:C-4:	C-4:H-1:H-1:	C(CH3)(CHH)(OP)(H)	O(PDyCOO)(CCCH)	C(CCHO)(H)2	C(CH3)(CHH)(OP)(H)	O(PDyCOO)(CCCH)	C(CCHO)(H)2	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:2:	4:1:	4:2:1:	C-4:C-3:C-2:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[5a]HH)(COO)(CC)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[5a]HH)(COO)(CC)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	110.2830	0.000	1	110.2830	0.000	1	109.4585	1.360	2	108.7264	5.526	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:2:	4:1:	4:2:1:	C-4:C-3:C-2:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CF3)(COO)(CC)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	C(CF3)(COO)(CC)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	108.6340	0.000	1	108.6340	0.000	1	109.4585	1.360	2	108.7264	5.526	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:2:	4:1:	4:2:1:	C[5]-4:C-3:O-2:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5]O[5]H)(COO)(OH)2	O(CC[5]CO)(H)	C(CC[5]OO)(OC)(O)	C(C[5]C[5]O[5]H)(COO)(OH)2	O(CC[5]CO)(H)	C(CC[5]OO)(OC)(O)	107.5485	4.013	2	107.5485	16.103	2	107.5485	16.103	2	108.7264	5.526	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:2:	4:1:	4:2:1:	Si-4:C-3:O-2:S-2:	C-4:H-1:	C-4:O-2:O-1:	C(SiC[6a]2C)(COO)(OH)(SC)	O(CSiCS)(H)	C(CSiOS)(OC)(O)	C(SiC[6a]2C)(COO)(OH)(SC)	O(CSiCS)(H)	C(CSiOS)(OC)(O)	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	108.7264	5.526	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:2:	4:1:	4:3:1:	C-4:C-3:C-2:O-2:	C-4:H-1:	C-4:N-3:O-1:	C(CC[6a]BrH)(CNO)(CN)(OH)	O(CC3)(H)	C(CCCO)(NHH)(O)	C(CC[6a]BrH)(CNO)(CN)(OH)	O(CC3)(H)	C(CCCO)(NHH)(O)	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	109.4306	5.238	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:2:	4:1:	4:3:1:	C-4:C-3:O-2:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(CF3)(CCH)(OH)2	O(CCCO)(H)	C(CCOO)(CHS)(H)	C(CF3)(CCH)(OH)2	O(CCCO)(H)	C(CCOO)(CHS)(H)	110.5890	3.627	2	110.5890	13.158	2	110.5890	13.158	2	109.4306	5.238	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:2:2:	4:1:	4:3:1:	C-4:C-3:O-2:O-2:	C-4:H-1:	C-4:N-3:O-1:	C(CC[6a]ClH)(CNO)(OH)2	O(CCCO)(H)	C(CCOO)(NHH)(O)	C(CC[6a]ClH)(CNO)(OH)2	O(CCCO)(H)	C(CCOO)(NHH)(O)	108.3475	1.655	2	108.3475	2.740	2	108.3475	2.740	2	109.4306	5.238	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	2:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	O-2:C-4:O-1:	C(CH3)(CHS)(COO)(OH)	O(CC3)(H)	C(OC[6])(CCCO)(O)	C(CH3)(CHS)(COO)(OH)	O(CC3)(H)	C(OC[6])(CCCO)(O)	106.2950	0.000	1	106.2950	0.000	1	106.2950	0.000	1	110.0412	8.520	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	2:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	S-2:C-4:H-1:	C(CH3)(CHS)(COO)(OH)	O(CC3)(H)	C(SC[6a])(CCCO)(H)	C(CH3)(CHS)(COO)(OH)	O(CC3)(H)	C(SC[6a])(CCCO)(H)	113.2650	0.000	1	113.2650	0.000	1	113.2650	0.000	1	110.0412	8.520	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	2:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	S-2:C-4:O-1:	C(CH3)(CCO)(COS)(OH)	O(CC3)(H)	C(SC[6a])(CCCO)(O)	C(CH3)(CCO)(COS)(OH)	O(CC3)(H)	C(SC[6a])(CCCO)(O)	110.3025	0.998	2	110.3025	0.995	2	110.3025	0.995	2	110.0412	8.520	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	3:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CCCH)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	C(CCCH)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	110.5670	0.004	2	110.5670	0.000	2	111.4723	5.462	16	111.1540	5.959	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	3:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CCHH)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	C(CCHH)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	108.1620	0.000	1	108.1620	0.000	1	111.4723	5.462	16	111.1540	5.959	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	3:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CCHN)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	C(CCHN)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	111.0520	0.000	1	111.0520	0.000	1	111.4723	5.462	16	111.1540	5.959	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	3:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CCHO)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	C(CCHO)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	111.4810	0.000	1	111.4810	0.000	1	111.4723	5.462	16	111.1540	5.959	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	3:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CC[5a]HH)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	C(CC[5a]HH)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	112.7840	0.000	1	112.7840	0.000	1	111.4723	5.462	16	111.1540	5.959	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	3:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CC[6a]CH)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	C(CC[6a]CH)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	111.6070	0.000	1	111.6070	0.000	1	111.4723	5.462	16	111.1540	5.959	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	3:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CC[6a]CO)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	C(CC[6a]CO)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	109.0630	0.000	1	109.0630	0.000	1	111.4723	5.462	16	111.1540	5.959	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	3:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CC[6a]HO)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	C(CC[6a]HO)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	112.7940	0.000	1	112.7940	0.000	1	111.4723	5.462	16	111.1540	5.959	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	3:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CF3)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]C)(CCCO)(H)	C(CF3)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]C)(CCCO)(H)	115.8975	0.066	2	115.8975	0.004	2	111.4723	5.462	16	111.1540	5.959	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	3:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CH3)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	C(CH3)(CCH)(COO)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	110.2417	2.100	3	110.2417	4.410	3	111.4723	5.462	16	111.1540	5.959	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	3:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CN[5a]HH)(CCH)2(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	C(CN[5a]HH)(CCH)2(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	111.4795	2.708	2	111.4795	7.331	2	111.4723	5.462	16	111.1540	5.959	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	3:4:1:	C[5]-4:C-3:C-3:O-2:	C-4:H-1:	C[5]-3:C-4:H-1:	C(C[5]C[5]2C)(CC[5]H)(CCC)(OH)	O(CC[5]CC)(H)	C(C[5]C[5]2)(CC[5]CO)(H)	C(C[5]C[5]2C)(CC[5]H)(CCC)(OH)	O(CC[5]CC)(H)	C(C[5]C[5]2)(CC[5]CO)(H)	107.0600	0.000	1	107.0600	0.000	1	107.0600	0.000	1	111.1540	5.959	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	3:4:1:	C[6]-4:C-3:C-3:O-2:	C-4:H-1:	C[6a]-3:C-4:O-1:	C(C[6]C[6]2H)(CC[6a]O)(COO)(OH)	O(CC[6]CC)(H)	C(C[6a]C[6a]2)(CC[6]CO)(O)	C(C[6]C[6]2H)(CC[6a]O)(COO)(OH)	O(CC[6]CC)(H)	C(C[6a]C[6a]2)(CC[6]CO)(O)	110.1560	0.000	1	110.1560	0.000	1	110.1560	0.000	1	111.1540	5.959	18	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CCCH)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CCCH)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	107.7457	0.768	3	107.7457	0.590	3	108.4143	3.320	23	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CCCH)(COO)2(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CCCH)(COO)2(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	109.1775	0.388	2	109.1775	0.151	2	108.4143	3.320	23	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CCHH)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CCHH)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	111.0070	0.000	1	111.0070	0.000	1	108.4143	3.320	23	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CCHN)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CCHN)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	106.5810	0.000	1	106.5810	0.000	1	108.4143	3.320	23	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CCHO)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CCHO)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	107.7790	0.000	1	107.7790	0.000	1	108.4143	3.320	23	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[5a]C[6a]H)(COO)2(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[5a]C[6a]H)(COO)2(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	108.0535	0.095	2	108.0535	0.009	2	108.4143	3.320	23	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[5a]HH)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[5a]HH)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	109.3840	0.000	1	109.3840	0.000	1	108.4143	3.320	23	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]CH)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[6a]CH)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	107.4430	0.000	1	107.4430	0.000	1	108.4143	3.320	23	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]CO)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[6a]CO)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	112.9220	0.000	1	112.9220	0.000	1	108.4143	3.320	23	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]HO)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[6a]HO)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	105.7420	0.000	1	105.7420	0.000	1	108.4143	3.320	23	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]N[5a]H)(COO)2(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[6a]N[5a]H)(COO)2(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	110.8970	0.274	2	110.8970	0.075	2	108.4143	3.320	23	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CCl2C)(COO)2(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CCl2C)(COO)2(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	106.6390	2.486	2	106.6390	6.181	2	108.4143	3.320	23	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CF3)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CF3)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	107.2745	1.266	2	107.2745	1.604	2	108.4143	3.320	23	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CH3)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	C(CH3)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	108.4507	0.064	3	108.4507	0.004	3	108.4143	3.320	23	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C[5]-4:C[6a]-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(COO)(OH)	O(CC[6a]C[5]C)(H)	C(CC[6a]C[5]O)(OC)(O)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(COO)(OH)	O(CC[6a]C[5]C)(H)	C(CC[6a]C[5]O)(OC)(O)	108.2400	0.641	2	108.2400	0.410	2	109.7748	5.226	10	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C[5]-4:C[6a]-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(COO)(OH)	O(CC[6a]C[5]C)(H)	C(CC[6a]C[5]O)(OC)(O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(COO)(OH)	O(CC[6a]C[5]C)(H)	C(CC[6a]C[5]O)(OC)(O)	110.1585	2.412	8	110.1585	5.819	8	109.7748	5.226	10	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C[6]-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6]C[6]2H)(CCH)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(OC)(O)	C(C[6]C[6]2H)(CCH)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(OC)(O)	107.6030	0.096	2	107.6030	0.009	2	107.4007	0.127	3	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:2:1:	C[6]-4:C-3:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6]C[6]2H)(CC[6a]O)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(OC)(O)	C(C[6]C[6]2H)(CC[6a]O)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(OC)(O)	106.9960	0.000	1	106.9960	0.000	1	107.4007	0.127	3	108.7078	3.966	36	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:3:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(CHH)(H)	C(CCCH)(CCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(CHH)(H)	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	109.7352	1.588	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:3:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:N-3:O-1:	C(CCCH)(CCO)(CNO)(OH)	O(CC3)(H)	C(CCCO)(NCO)(O)	C(CCCH)(CCO)(CNO)(OH)	O(CC3)(H)	C(CCCO)(NCO)(O)	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	109.7352	1.588	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:3:1:	C[6]-4:C-3:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(C[6]C[6]2H)(CCH)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(CC[6a]H)(H)	C(C[6]C[6]2H)(CCH)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(CC[6a]H)(H)	110.2455	0.268	2	110.2455	0.072	2	110.2455	0.072	2	109.7352	1.588	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(CCCH)(CCO)(CNO)(OH)	O(CC3)(H)	C(CCCO)(CH3)(O)	C(CCCH)(CCO)(CNO)(OH)	O(CC3)(H)	C(CCCO)(CH3)(O)	109.9370	0.000	1	109.9370	0.000	1	109.3522	0.628	9	109.3522	0.628	9	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(CCHH)(CCO)2(OH)	O(CC3)(H)	C(CCCH)(CCCO)(O)	C(CCHH)(CCO)2(OH)	O(CC3)(H)	C(CCCH)(CCCO)(O)	108.8500	0.432	4	108.8500	0.187	4	109.3522	0.628	9	109.3522	0.628	9	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(CC[6a]HN)(CCO)2(OH)	O(CC3)(H)	C(CCCO)(CH3)(O)	C(CC[6a]HN)(CCO)2(OH)	O(CC3)(H)	C(CCCO)(CH3)(O)	109.2255	1.249	2	109.2255	1.561	2	109.3522	0.628	9	109.3522	0.628	9	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(CH3)(CCO)(COS)(OH)	O(CC3)(H)	C(CCCO)(CCHH)(O)	C(CH3)(CCO)(COS)(OH)	O(CC3)(H)	C(CCCO)(CCHH)(O)	110.4330	0.000	1	110.4330	0.000	1	109.3522	0.628	9	109.3522	0.628	9	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:4:1:	C-4:C-3:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(CH3)(CCO)(COS)(OH)	O(CC3)(H)	C(CC[6a]HH)(CCCO)(O)	C(CH3)(CCO)(COS)(OH)	O(CC3)(H)	C(CC[6a]HH)(CCCO)(O)	109.9490	0.000	1	109.9490	0.000	1	109.3522	0.628	9	109.3522	0.628	9	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:1:	4:4:3:	C[5]-4:C-3:C-3:O-2:	C-4:H-1:	C-4:C-4:C-3:	C(C[5]C[5]2C)(CC[5]H)(CCC)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(CHHO)(CHH)	C(C[5]C[5]2C)(CC[5]H)(CCC)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(CHHO)(CHH)	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:2:	4:4:1:	C-4:C-3:C-3:O-2:	C-4:O-2:	C-4:C-4:O-1:	C(CC[6a]HH)(CCO)2(OO)	O(CC3)(OC)	C(CCCO)(CH3)(O)	C(CC[6a]HH)(CCO)2(OO)	O(CC3)(OC)	C(CCCO)(CH3)(O)	108.2355	3.690	2	108.2355	13.619	2	108.2355	13.619	2	108.2355	13.619	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:3:	2:4:1:	C-4:C-3:C-3:O-2:	C-4:N-3:	S-2:C-4:O-1:	C(CC[6a]HH)(CCO)(COS)(ON)	O(CC3)(NCH)	C(SC[6a])(CCCO)(O)	C(CC[6a]HH)(CCO)(COS)(ON)	O(CC3)(NCH)	C(SC[6a])(CCCO)(O)	106.2880	0.000	1	106.2880	0.000	1	106.2880	0.000	1	106.2880	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:3:	4:4:1:	C-4:C-3:C-3:O-2:	C-4:N-3:	C-4:C-4:O-1:	C(CC[6a]HH)(CCO)(COS)(ON)	O(CC3)(NCH)	C(CCCO)(CCHH)(O)	C(CC[6a]HH)(CCO)(COS)(ON)	O(CC3)(NCH)	C(CCCO)(CCHH)(O)	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:4:	4:2:1:	C-4:C-3:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(CC[6a]2H)(COO)2(OC)	O(CC[6a]HO)(CC3)	C(CCCO)(OC)(O)	C(CC[6a]2H)(COO)2(OC)	O(CC[6a]HO)(CC3)	C(CCCO)(OC)(O)	108.3473	6.464	4	108.3473	41.781	4	108.3473	41.781	4	108.8100	14.415	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:4:	4:2:1:	C-4:C-3:C-3:O-2:	Si-4:C-4:	C-4:O-2:O-1:	C(CCCO)(CCH)(COO)(OSi)	O(SiC3)(CC3)	C(CCCO)(OC)(O)	C(CCCO)(CCH)(COO)(OSi)	O(SiC3)(CC3)	C(CCCO)(OC)(O)	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	108.8100	14.415	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:4:	4:2:1:	C[5]-4:C[6a]-3:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	O(CC[6a]C[5]C)(CCHH)	C(CC[6a]C[5]O)(OC)(O)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	O(CC[6a]C[5]C)(CCHH)	C(CC[6a]C[5]O)(OC)(O)	109.1240	0.115	2	109.1240	0.013	2	108.5203	0.914	6	108.8100	14.415	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:4:	4:2:1:	C[5]-4:C[6a]-3:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	O(CC[6a]C[5]C)(CC[6a]HH)	C(CC[6a]C[5]O)(OC)(O)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	O(CC[6a]C[5]C)(CC[6a]HH)	C(CC[6a]C[5]O)(OC)(O)	109.0600	0.638	2	109.0600	0.407	2	108.5203	0.914	6	108.8100	14.415	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:4:	4:2:1:	C[5]-4:C[6a]-3:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	O(CC[6a]C[5]C)(CH3)	C(CC[6a]C[5]O)(OC)(O)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	O(CC[6a]C[5]C)(CH3)	C(CC[6a]C[5]O)(OC)(O)	107.0420	0.000	1	107.0420	0.000	1	108.5203	0.914	6	108.8100	14.415	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:4:	4:2:1:	C[5]-4:C[6a]-3:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(COO)(OC)	O(CC[6a]C[5]C)(CC[6a]HH)	C(CC[6a]C[5]O)(OC)(O)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(COO)(OC)	O(CC[6a]C[5]C)(CC[6a]HH)	C(CC[6a]C[5]O)(OC)(O)	107.7120	0.000	1	107.7120	0.000	1	108.5203	0.914	6	108.8100	14.415	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:4:	4:3:1:	C-4:C-3:C-3:O-2:	Si-4:C-4:	C-4:C-3:H-1:	C(CCCO)(CCH)(COO)(OSi)	O(SiC3)(CC3)	C(CCCO)(CHH)(H)	C(CCCO)(CCH)(COO)(OSi)	O(SiC3)(CC3)	C(CCCO)(CHH)(H)	109.4290	0.000	1	109.4290	0.000	1	109.4290	0.000	1	109.3400	0.016	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:3:2:	4:4:	4:3:1:	C[6]-4:C[6a]-3:C-3:O-2:	C-4:Si-4:	C-4:C-3:H-1:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	O(CC[6a]C[6]C)(SiC3)	C(CC[6a]C[6]O)(CHH)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	O(CC[6a]C[6]C)(SiC3)	C(CC[6a]C[6]O)(CHH)(H)	109.2510	0.000	1	109.2510	0.000	1	109.2510	0.000	1	109.3400	0.016	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:3:4:2:	4:1:	4:4:1:	C[5]-4:C-3:C-4:O-2:	C-4:H-1:	C[5]-4:C-4:O-1:	C(C[5]C[5]2H)(CC[5]O)(CH3)(OH)	O(CC[5]CC)(H)	C(C[5]C[5]2O)(CC[5]CO)(O)	C(C[5]C[5]2H)(CC[5]O)(CH3)(OH)	O(CC[5]CC)(H)	C(C[5]C[5]2O)(CC[5]CO)(O)	108.0900	0.208	2	108.0900	0.043	2	108.0900	0.043	2	108.0900	0.043	2	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	3:4:	4:2:1:	C-4:C-4:C-3:O-2:	N-3:C-4:	C-4:O-2:O-1:	C(CH3)2(COO)(ON)	O(NPdC)(CC3)	C(CCCO)(OPd)(O)	C(CH3)2(COO)(ON)	O(NPdC)(CC3)	C(CCCO)(OPd)(O)	111.8940	0.000	1	111.8940	0.000	1	111.8940	0.000	1	111.8940	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	2:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	O-2:C-4:O-1:	C(CCHH)2(COO)(OH)	O(CC3)(H)	C(OC[5])(CCCO)(O)	C(CCHH)2(COO)(OH)	O(CC3)(H)	C(OC[5])(CCCO)(O)	109.4720	0.665	2	109.4720	0.442	2	108.4068	1.704	5	108.5865	1.557	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	2:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	O-2:C-4:O-1:	C(CC[6a]HH)(CC[6a]HO)(COO)(OH)	O(CC3)(H)	C(OC[6])(CCCO)(O)	C(CC[6a]HH)(CC[6a]HO)(COO)(OH)	O(CC3)(H)	C(OC[6])(CCCO)(O)	107.0545	0.346	2	107.0545	0.120	2	108.4068	1.704	5	108.5865	1.557	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	2:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	O-2:C-4:O-1:	C(CClCH)(CH3)(COO)(OH)	O(CC3)(H)	C(OC[6])(CCCO)(O)	C(CClCH)(CH3)(COO)(OH)	O(CC3)(H)	C(OC[6])(CCCO)(O)	108.9810	0.000	1	108.9810	0.000	1	108.4068	1.704	5	108.5865	1.557	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	2:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	S-2:C-4:O-1:	C(CC[6a]HO)(CH3)(COS)(OH)	O(CC3)(H)	C(SC[6a])(CCCO)(O)	C(CC[6a]HO)(CH3)(COS)(OH)	O(CC3)(H)	C(SC[6a])(CCCO)(O)	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	108.5865	1.557	6	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	3:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CCHH)(CF3)(CCH)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	C(CCHH)(CF3)(CCH)(OH)	O(CC3)(H)	C(CC[6a]H)(CCCO)(H)	111.4850	2.202	2	111.4850	4.848	2	110.5196	4.467	8	109.3911	7.720	14	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	3:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CCHH)(CH3)(CCH)(OH)	O(CC3)(H)	C(CC[5]H)(CCCO)(H)	C(CCHH)(CH3)(CCH)(OH)	O(CC3)(H)	C(CC[5]H)(CCCO)(H)	109.1040	0.000	1	109.1040	0.000	1	110.5196	4.467	8	109.3911	7.720	14	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	3:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CCHH)(CH3)(CCH)(OH)	O(CC3)(H)	C(CC[6]H)(CCCO)(H)	C(CCHH)(CH3)(CCH)(OH)	O(CC3)(H)	C(CC[6]H)(CCCO)(H)	107.2440	0.000	1	107.2440	0.000	1	110.5196	4.467	8	109.3911	7.720	14	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	3:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CCHO)(CH3)(CCH)(OH)	O(CC3)(H)	C(CC[6]H)(CCCO)(H)	C(CCHO)(CH3)(CCH)(OH)	O(CC3)(H)	C(CC[6]H)(CCCO)(H)	110.4777	1.321	3	110.4777	1.745	3	110.5196	4.467	8	109.3911	7.720	14	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	3:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-3:C-4:H-1:	C(CH3)2(CCH)(OH)	O(CC3)(H)	C(CC[6a]P)(CCCO)(H)	C(CH3)2(CCH)(OH)	O(CC3)(H)	C(CC[6a]P)(CCCO)(H)	113.4060	0.000	1	113.4060	0.000	1	110.5196	4.467	8	109.3911	7.720	14	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	3:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-3:C-4:O-1:	C(CCCH)(CH3)(CCO)(OH)	O(CC3)(H)	C(CN[5]O)(CCCO)(O)	C(CCCH)(CH3)(CCO)(OH)	O(CC3)(H)	C(CN[5]O)(CCCO)(O)	101.9790	0.000	1	101.9790	0.000	1	101.9790	0.000	1	109.3911	7.720	14	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	3:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	N-3:C-4:O-1:	C(CHHS)(CH3)(CNO)(OH)	O(CC3)(H)	C(NC[6a]H)(CCCO)(O)	C(CHHS)(CH3)(CNO)(OH)	O(CC3)(H)	C(NC[6a]H)(CCCO)(O)	109.0680	0.927	5	109.0680	0.859	5	109.0680	0.859	5	109.3911	7.720	14	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-1:O-1:	C(CCCH)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(O)2	C(CCCH)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(O)2	108.1880	0.000	1	108.1880	0.000	1	109.7925	4.535	15	109.7805	3.485	20	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-1:O-1:	C(CCHH)(CFFH)(COO)(OH)	O(CC3)(H)	C(CCCO)(O)2	C(CCHH)(CFFH)(COO)(OH)	O(CC3)(H)	C(CCCO)(O)2	112.5990	0.000	1	112.5990	0.000	1	109.7925	4.535	15	109.7805	3.485	20	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-1:O-1:	C(CCHH)2(COO)(OH)	O(CC3)(H)	C(CCCO)(O)2	C(CCHH)2(COO)(OH)	O(CC3)(H)	C(CCCO)(O)2	109.7000	2.100	13	109.7000	4.410	13	109.7925	4.535	15	109.7805	3.485	20	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:1:1:	C[5]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-1:O-1:	C(C[5]C[5]O[5]H)(CHHN)(COO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(O)2	C(C[5]C[5]O[5]H)(CHHN)(COO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(O)2	110.1375	0.233	2	110.1375	0.054	2	110.1375	0.054	2	109.7805	3.485	20	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:1:1:	C[6]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-1:O-1:	C(C[6]C[6]2H)(CF3)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(O)2	C(C[6]C[6]2H)(CF3)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(O)2	109.1220	1.175	2	109.1220	1.381	2	109.1220	1.381	2	109.7805	3.485	20	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:1:1:	P-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-1:O-1:	C(PCOO)(CH3)(COO)(OH)	O(CCCP)(H)	C(CCOP)(O)2	C(PCOO)(CH3)(COO)(OH)	O(CCCP)(H)	C(CCOP)(O)2	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	109.7805	3.485	20	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CBrCC)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	C(CBrCC)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	107.4950	2.100	2	107.4950	4.410	2	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CBrCH)(CCHO)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CBrCH)(CCHO)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	110.8980	0.000	1	110.8980	0.000	1	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CCCH)(CCHH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CCCH)(CCHH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	109.4707	0.298	3	109.4707	0.089	3	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CCCH)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CCCH)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	109.2390	1.626	2	109.2390	2.645	2	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CCCO)(CF3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CCCO)(CF3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	108.6555	1.146	2	108.6555	1.314	2	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CCHH)(CCHO)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CCHH)(CCHO)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	107.0580	0.000	1	107.0580	0.000	1	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CCHH)(CF3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CCHH)(CF3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	107.3058	2.588	4	107.3058	6.699	4	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CCHH)2(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CCHH)2(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	110.2590	0.543	3	110.2590	0.294	3	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CCHH)2(COO)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	C(CCHH)2(COO)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	108.8263	1.303	15	108.8263	1.698	15	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[5]HH)(CCCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	C(CC[5]HH)(CCCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	108.4050	0.000	1	108.4050	0.000	1	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[5]HH)(CF3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[5]HH)(CF3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	110.1620	0.000	1	110.1620	0.000	1	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6]HH)(CF3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[6]HH)(CF3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	110.3220	0.000	1	110.3220	0.000	1	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]BrH)(CC[5a]HH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[6a]BrH)(CC[5a]HH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	108.4860	0.000	1	108.4860	0.000	1	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]CH)(CCHH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[6a]CH)(CCHH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	108.1707	1.155	3	108.1707	1.334	3	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]CH)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[6a]CH)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	109.1965	0.320	2	109.1965	0.103	2	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]HH)(CCHH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	C(CC[6a]HH)(CCHH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	108.4150	0.006	2	108.4150	0.000	2	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]HH)(CCHN)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[6a]HH)(CCHN)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	109.4910	0.000	1	109.4910	0.000	1	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]HN)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[6a]HN)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	107.4690	0.000	1	107.4690	0.000	1	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CC[6a]HO)(CBrCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CC[6a]HO)(CBrCH)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	107.5620	0.000	1	107.5620	0.000	1	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CF3)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	C(CF3)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	109.2505	0.121	2	109.2505	0.015	2	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CF3)2(COO)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	C(CF3)2(COO)(OH)	O(CC3)(H)	C(CCCO)(OH)(O)	110.0670	0.000	1	110.0670	0.000	1	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CHOO)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	C(CHOO)(CH3)(COO)(OH)	O(CC3)(H)	C(CCCO)(OC)(O)	109.3945	1.805	2	109.3945	3.259	2	108.8179	1.955	52	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:Si-4:C-3:O-2:	C-4:H-1:	C-4:O-2:H-1:	C(CCHH)(SiC3)(CHO)(OH)	O(CSiCC)(H)	C(CSiCO)(OH)(H)	C(CCHH)(SiC3)(CHO)(OH)	O(CSiCC)(H)	C(CSiCO)(OH)(H)	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C-4:Si-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(CCCH)(SiC3)(COO)(OH)	O(CSiCC)(H)	C(CSiCO)(OC)(O)	C(CCCH)(SiC3)(COO)(OH)	O(CSiCC)(H)	C(CSiCO)(OC)(O)	106.8680	0.000	1	106.8680	0.000	1	106.8680	0.000	1	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C[3]-4:C[3]-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[3]C[3]2H)2(COO)(OH)	O(CC[3]2C)(H)	C(CC[3]2O)(OH)(O)	C(C[3]C[3]2H)2(COO)(OH)	O(CC[3]2C)(H)	C(CC[3]2O)(OH)(O)	108.0330	0.000	1	108.0330	0.000	1	108.0330	0.000	1	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C[5]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(OC)(O)	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(OC)(O)	109.9340	0.000	1	109.9340	0.000	1	109.2850	0.551	3	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C[5]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5]2H)(CH3)(COO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(OC)(O)	C(C[5]C[5]2H)(CH3)(COO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(OC)(O)	108.4760	0.000	1	108.4760	0.000	1	109.2850	0.551	3	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C[5]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[5]C[5]O[5]H)(CH3)(COO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(OC)(O)	C(C[5]C[5]O[5]H)(CH3)(COO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(OC)(O)	109.4450	0.000	1	109.4450	0.000	1	109.2850	0.551	3	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C[6,6]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6,6]C[6,6]2H)(CH3)(COO)(OH)	O(CC[6,6]CC)(H)	C(CC[6,6]CO)(OH)(O)	C(C[6,6]C[6,6]2H)(CH3)(COO)(OH)	O(CC[6,6]CC)(H)	C(CC[6,6]CO)(OH)(O)	108.4420	0.284	2	108.4420	0.081	2	108.4420	0.081	2	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C[6]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6]C[5a,6]C[6]H)(CF3)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(OC)(O)	C(C[6]C[5a,6]C[6]H)(CF3)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(OC)(O)	108.1940	0.000	1	108.1940	0.000	1	109.4497	3.190	7	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C[6]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6]C[6]2H)(CC[6]CO)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(OC)(O)	C(C[6]C[6]2H)(CC[6]CO)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(OC)(O)	107.7375	0.258	2	107.7375	0.067	2	109.4497	3.190	7	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C[6]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6]C[6]2H)(CF3)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(OC)(O)	C(C[6]C[6]2H)(CF3)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(OC)(O)	109.9407	0.558	3	109.9407	0.311	3	109.4497	3.190	7	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C[6]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6]C[6]2H)(CHHO)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(OH)(O)	C(C[6]C[6]2H)(CHHO)(COO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(OH)(O)	112.6570	0.000	1	112.6570	0.000	1	109.4497	3.190	7	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	C[6]-4:C[6]-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(C[6]C[6]2H)2(COO)(OH)	O(CC[6]2C)(H)	C(CC[6]2O)(OC)(O)	C(C[6]C[6]2H)2(COO)(OH)	O(CC[6]2C)(H)	C(CC[6]2O)(OC)(O)	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:2:1:	Si-4:C-4:C-3:O-2:	C-4:H-1:	C-4:O-2:O-1:	C(SiC3)(CH3)(COO)(OH)	O(CSiCC)(H)	C(CSiCO)(OH)(O)	C(SiC3)(CH3)(COO)(OH)	O(CSiCC)(H)	C(CSiCO)(OH)(O)	108.0920	1.153	2	108.0920	1.328	2	108.0920	1.328	2	108.7998	1.928	70	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(CC3)(CH3)(CCH)(OH)	O(CC3)(H)	C(CCCO)(CSiH)(H)	C(CC3)(CH3)(CCH)(OH)	O(CC3)(H)	C(CCCO)(CSiH)(H)	108.8410	0.000	1	108.8410	0.000	1	111.0046	6.304	17	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(CCCH)(CCHH)(CCH)(OH)	O(CC3)(H)	C(CCCO)(CHH)(H)	C(CCCH)(CCHH)(CCH)(OH)	O(CC3)(H)	C(CCCO)(CHH)(H)	111.9320	0.000	1	111.9320	0.000	1	111.0046	6.304	17	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(CCH)(OH)	O(CC3)(H)	C(CCCO)(CCC)(H)	C(CCHH)(CH3)(CCH)(OH)	O(CC3)(H)	C(CCCO)(CCC)(H)	108.6100	0.000	1	108.6100	0.000	1	111.0046	6.304	17	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(CCH)(OH)	O(CC3)(H)	C(CCCO)(CCH)(H)	C(CCHH)(CH3)(CCH)(OH)	O(CC3)(H)	C(CCCO)(CCH)(H)	108.4150	3.873	3	108.4150	14.998	3	111.0046	6.304	17	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(CCHH)(CH3)(CCH)(OH)	O(CC3)(H)	C(CCCO)(CHH)(H)	C(CCHH)(CH3)(CCH)(OH)	O(CC3)(H)	C(CCCO)(CHH)(H)	111.2700	1.332	2	111.2700	1.775	2	111.0046	6.304	17	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(CCHH)(CCH)(OH)	O(CC3)(H)	C(CCCO)(CHH)(H)	C(CC[6a]HO)(CCHH)(CCH)(OH)	O(CC3)(H)	C(CCCO)(CHH)(H)	110.5955	0.250	2	110.5955	0.062	2	111.0046	6.304	17	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(CF3)2(CCH)(OH)	O(CC3)(H)	C(CCCO)(CHO)(H)	C(CF3)2(CCH)(OH)	O(CC3)(H)	C(CCCO)(CHO)(H)	109.6270	0.000	1	109.6270	0.000	1	111.0046	6.304	17	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(CH3)2(CCH)(OH)	O(CC3)(H)	C(CCCO)(CBrP)(H)	C(CH3)2(CCH)(OH)	O(CC3)(H)	C(CCCO)(CBrP)(H)	112.2100	0.000	1	112.2100	0.000	1	111.0046	6.304	17	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(CH3)2(CCH)(OH)	O(CC3)(H)	C(CCCO)(CCP)(H)	C(CH3)2(CCH)(OH)	O(CC3)(H)	C(CCCO)(CCP)(H)	113.4600	1.359	4	113.4600	1.847	4	111.0046	6.304	17	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(CHHN)(CH3)(CCH)(OH)	O(CC3)(H)	C(CCCO)(CCH)(H)	C(CHHN)(CH3)(CCH)(OH)	O(CC3)(H)	C(CCCO)(CCH)(H)	113.0430	0.000	1	113.0430	0.000	1	111.0046	6.304	17	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:N-3:O-1:	C(CCHO)(CH3)(CNO)(OH)	O(CC3)(H)	C(CCCO)(NCH)(O)	C(CCHO)(CH3)(CNO)(OH)	O(CC3)(H)	C(CCCO)(NCH)(O)	111.0830	0.000	1	111.0830	0.000	1	111.8915	1.307	2	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:N-3:O-1:	C(CClHH)(CH3)(CNO)(OH)	O(CC3)(H)	C(CCCO)(NCH)(O)	C(CClHH)(CH3)(CNO)(OH)	O(CC3)(H)	C(CCCO)(NCH)(O)	112.7000	0.000	1	112.7000	0.000	1	111.8915	1.307	2	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	C[5]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(CCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(CCH)(H)	106.1655	0.285	2	106.1655	0.081	2	107.4110	4.694	3	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	C[5]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(C[5]C[5]O[5]H)(CCHH)(CCH)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(CHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(CCH)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(CHH)(H)	109.9020	0.000	1	109.9020	0.000	1	107.4110	4.694	3	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	C[6]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:H-1:	C(C[6]C[6]O[6]H)(CH3)(CCH)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(CHH)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(CHH)(H)	108.4537	2.715	4	108.4537	7.369	4	108.4537	7.369	4	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:1:	P-4:C-4:C-3:O-2:	C-4:H-1:	C-4:N-3:O-1:	C(PCOO)(CH3)(CNO)(OH)	O(CCCP)(H)	C(CCOP)(NCH)(O)	C(PCOO)(CH3)(CNO)(OH)	O(CCCP)(H)	C(CCOP)(NCH)(O)	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	110.1885	7.308	27	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:3:3:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-3:C-3:	C(CH3)2(CCC)(OH)	O(CC3)(H)	C(CCCO)(CCH)(CHH)	C(CH3)2(CCC)(OH)	O(CC3)(H)	C(CCCO)(CCH)(CHH)	109.0228	0.395	4	109.0228	0.156	4	109.0228	0.156	4	109.0228	0.156	4	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(CC[5]HO)(CH3)(CCO)(OH)	O(CC3)(H)	C(CCCO)(CCHH)(O)	C(CC[5]HO)(CH3)(CCO)(OH)	O(CC3)(H)	C(CCCO)(CCHH)(O)	109.3060	0.495	4	109.3060	0.245	4	108.3945	2.940	15	108.8006	3.053	19	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(CC[6a]HH)(CH3)(CCO)(OH)	O(CC3)(H)	C(CCCO)(CH3)(O)	C(CC[6a]HH)(CH3)(CCO)(OH)	O(CC3)(H)	C(CCCO)(CH3)(O)	111.6590	0.000	1	111.6590	0.000	1	108.3945	2.940	15	108.8006	3.053	19	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(CH3)2(CCO)(OH)	O(CC3)(H)	C(CCCO)(CCHH)(O)	C(CH3)2(CCO)(OH)	O(CC3)(H)	C(CCCO)(CCHH)(O)	108.0259	0.582	7	108.0259	0.338	7	108.3945	2.940	15	108.8006	3.053	19	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(CH3)2(CCO)(OH)	O(CC3)(H)	C(CC[5,6]HH)(CCCO)(O)	C(CH3)2(CCO)(OH)	O(CC3)(H)	C(CC[5,6]HH)(CCCO)(O)	107.5205	3.907	2	107.5205	15.263	2	108.3945	2.940	15	108.8006	3.053	19	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:4:1:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(CH3)2(CCO)(OH)	O(CC3)(H)	C(CC[5a]HH)(CCCO)(O)	C(CH3)2(CCO)(OH)	O(CC3)(H)	C(CC[5a]HH)(CCCO)(O)	105.8120	0.000	1	105.8120	0.000	1	108.3945	2.940	15	108.8006	3.053	19	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:4:1:	C[5]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(C[5]C[5]2H)(CHHO)(CCO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(CCCH)(O)	C(C[5]C[5]2H)(CHHO)(CCO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(CCCH)(O)	110.7390	0.628	2	110.7390	0.394	2	110.6937	0.203	3	108.8006	3.053	19	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:4:1:	C[5]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(C[5]C[5]S[5]S)(CH3)(CCO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(CH3)(O)	C(C[5]C[5]S[5]S)(CH3)(CCO)(OH)	O(CC[5]CC)(H)	C(CC[5]CO)(CH3)(O)	110.6030	0.000	1	110.6030	0.000	1	110.6937	0.203	3	108.8006	3.053	19	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:4:1:	C[6]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:O-1:	C(C[6]C[6]N[6]H)(CH3)(CCO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(CH3)(O)	C(C[6]C[6]N[6]H)(CH3)(CCO)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(CH3)(O)	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	108.8006	3.053	19	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:4:3:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:C-3:	C(CCCN)(CH3)(CCC)(OH)	O(CC3)(H)	C(CCCO)(CH3)(CHH)	C(CCCN)(CH3)(CCC)(OH)	O(CC3)(H)	C(CCCO)(CH3)(CHH)	104.5510	0.000	1	104.5510	0.000	1	108.9944	5.841	7	109.7845	4.870	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:4:3:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:C-3:	C(CCHH)2(CCC)(OH)	O(CC3)(H)	C(CCCO)(CH3)(CHH)	C(CCHH)2(CCC)(OH)	O(CC3)(H)	C(CCCO)(CH3)(CHH)	111.2810	0.000	1	111.2810	0.000	1	108.9944	5.841	7	109.7845	4.870	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:4:3:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:C-3:	C(CCHN)(CH3)(CCC)(OH)	O(CC3)(H)	C(CCCO)(CH3)(CCH)	C(CCHN)(CH3)(CCC)(OH)	O(CC3)(H)	C(CCCO)(CH3)(CCH)	108.4100	0.000	2	108.4100	0.000	2	108.9944	5.841	7	109.7845	4.870	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:4:3:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:C-3:	C(CC[3]HO)(CH3)(CCC)(OH)	O(CC3)(H)	C(CCCO)(CH3)(CCH)	C(CC[3]HO)(CH3)(CCC)(OH)	O(CC3)(H)	C(CCCO)(CH3)(CCH)	111.8840	0.000	1	111.8840	0.000	1	108.9944	5.841	7	109.7845	4.870	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:4:3:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:C-3:	C(CH3)2(CCC)(OH)	O(CC3)(H)	C(CCCO)(CCHH)(CCH)	C(CH3)2(CCC)(OH)	O(CC3)(H)	C(CCCO)(CCHH)(CCH)	109.9010	0.000	1	109.9010	0.000	1	108.9944	5.841	7	109.7845	4.870	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:4:3:	C-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:C-3:	C(CHHO)(CH3)(CCC)(OH)	O(CC3)(H)	C(CCCO)(CCHH)(CCH)	C(CHHO)(CH3)(CCC)(OH)	O(CC3)(H)	C(CCCO)(CCHH)(CCH)	108.5240	0.000	1	108.5240	0.000	1	108.9944	5.841	7	109.7845	4.870	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:1:	4:4:3:	C[6]-4:C-4:C-3:O-2:	C-4:H-1:	C-4:C-4:C-3:	C(C[6]C[6]O[6]H)(CH3)(CCC)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(CH3)(CHH)	C(C[6]C[6]O[6]H)(CH3)(CCC)(OH)	O(CC[6]CC)(H)	C(CC[6]CO)(CH3)(CHH)	111.1670	0.739	4	111.1670	0.547	4	111.1670	0.547	4	109.7845	4.870	11	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:4:	4:2:1:	C-4:C-4:C-3:O-2:	C-4:C-4:	C-4:O-2:O-1:	C(CC[6a]HN)(CH3)(COO)(OC)	O(CC3)(CH3)	C(CCCO)(OC)(O)	C(CC[6a]HN)(CH3)(COO)(OC)	O(CC3)(CH3)	C(CCCO)(OC)(O)	110.1810	0.000	1	110.1810	0.000	1	110.1810	0.000	1	109.9488	5.309	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:4:	4:2:1:	C-4:C-4:C-3:O-2:	Si-4:C-4:	C-4:O-2:O-1:	C(CCCO)(CCHO)(COO)(OSi)	O(SiC3)(CC3)	C(CCCO)(OC)(O)	C(CCCO)(CCHO)(COO)(OSi)	O(SiC3)(CC3)	C(CCCO)(OC)(O)	110.5403	2.838	3	110.5403	8.053	3	109.8907	7.057	4	109.9488	5.309	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:4:	4:2:1:	C-4:C-4:C-3:O-2:	Si-4:C-4:	C-4:O-2:O-1:	C(CC[5a]CH)(CCHH)(COO)(OSi)	O(SiC3)(CC3)	C(CCCO)(OC)(O)	C(CC[5a]CH)(CCHH)(COO)(OSi)	O(SiC3)(CC3)	C(CCCO)(OC)(O)	107.9420	0.000	1	107.9420	0.000	1	109.8907	7.057	4	109.9488	5.309	5	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:4:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:C-4:	C-4:C-3:H-1:	C(CC[6a]CO)(CCHH)(CCH)(OC)	O(CCHH)(CC3)	C(CCCO)(CHH)(H)	C(CC[6a]CO)(CCHH)(CCH)(OC)	O(CCHH)(CC3)	C(CCCO)(CHH)(H)	107.1250	0.000	1	107.1250	0.000	1	107.8515	1.056	2	108.1564	7.195	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:4:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:C-4:	C-4:C-3:H-1:	C(CH3)2(CCH)(OC)	O(CC3)(CH3)	C(CCCO)(CCH)(H)	C(CH3)2(CCH)(OC)	O(CC3)(CH3)	C(CCCO)(CCH)(H)	108.5780	0.000	1	108.5780	0.000	1	107.8515	1.056	2	108.1564	7.195	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:4:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:C-4:	C-4:N-3:O-1:	C(CCHH)(CF3)(CNO)(OC)	O(CCHH)(CC3)	C(CCCO)(NCH)(O)	C(CCHH)(CF3)(CNO)(OC)	O(CCHH)(CC3)	C(CCCO)(NCH)(O)	111.1180	0.000	1	111.1180	0.000	1	108.0886	12.050	5	108.1564	7.195	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:4:	4:3:1:	C-4:C-4:C-3:O-2:	C-4:C-4:	C-4:N-3:O-1:	C(CHHN)(CH3)(CNO)(OC)	O(CC3)(CH3)	C(CCCO)(NCoC)(O)	C(CHHN)(CH3)(CNO)(OC)	O(CC3)(CH3)	C(CCCO)(NCoC)(O)	107.3312	3.499	4	107.3312	12.243	4	108.0886	12.050	5	108.1564	7.195	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:4:	4:3:1:	C[5]-4:C-4:C-3:O-2:	C-4:C-4:	C-4:C-3:H-1:	C(C[5]C[5]O[5]H)(CH3)(CCH)(OC)	O(CC[6a]HH)(CC[5]CC)	C(CC[5]CO)(CHH)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)(OC)	O(CC[6a]HH)(CC[5]CC)	C(CC[5]CO)(CHH)(H)	109.1050	0.000	1	109.1050	0.000	1	109.1050	0.000	1	108.1564	7.195	8	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:4:	4:3:3:	C-4:C-4:C-3:O-2:	Si-4:C-4:	C-4:C-3:N-3:	C(CH3)2(CCN)(OSi)	O(SiC3)(CC3)	C(CCCO)(CBrC)(NCC)	C(CH3)2(CCN)(OSi)	O(SiC3)(CC3)	C(CCCO)(CBrC)(NCC)	108.6110	0.000	1	108.6110	0.000	1	108.6110	0.000	1	108.6110	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:4:	4:4:2:	C-4:C-4:C-3:O-2:	C-4:C-4:	C-4:C-4:O-2:	C(CH3)2(CCO)(OC)	O(CC3)(CH3)	C(CCCO)2(OLi)	C(CH3)2(CCO)(OC)	O(CC3)(CH3)	C(CCCO)2(OLi)	108.2430	0.197	2	108.2430	0.039	2	108.2430	0.039	2	108.9593	1.559	3	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	4:4:3:2:	4:4:	4:4:2:	C-4:C-4:C-3:O-2:	Ge-4:C-4:	C-4:C-4:C-2:	C(CH3)2(CCC)(OGe)	O(GeC[6a]2W)(CC3)	C(CCCO)(CC3)(CW)	C(CH3)2(CCC)(OGe)	O(GeC[6a]2W)(CC3)	C(CCCO)(CC3)(CW)	110.3920	0.000	1	110.3920	0.000	1	110.3920	0.000	1	108.9593	1.559	3	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	5:3:2:1:	4:1:	4:3:1:	C[3x3,4,3x5,14x6]-5:C-3:O-2:H-1:	C-4:H-1:	C-4:C-3:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OH)(H)	O(CC[3x3,4,3x5,14x6]CH)(H)	C(CC[3x3,4,3x5,14x6]HO)(CC[6a]H)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OH)(H)	O(CC[3x3,4,3x5,14x6]CH)(H)	C(CC[3x3,4,3x5,14x6]HO)(CC[6a]H)(H)	113.9180	0.000	1	113.9180	0.000	1	113.9180	0.000	1	113.9180	0.000	1	110.3519	6.657	2501	110.3519	6.657	2501
490	893	930	0:SP3_SP2_SP3	C	O	C	5:3:2:1:	4:4:	4:3:1:	C[3x3,4,3x5,14x6]-5:C-3:O-2:H-1:	C-4:Si-4:	C-4:C-3:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OSi)(H)	O(CC[3x3,4,3x5,14x6]CH)(SiCCO)	C(CC[3x3,4,3x5,14x6]HO)(CC[6a]H)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OSi)(H)	O(CC[3x3,4,3x5,14x6]CH)(SiCCO)	C(CC[3x3,4,3x5,14x6]HO)(CC[6a]H)(H)	108.5590	0.017	2	108.5590	0.000	2	108.5590	0.000	2	108.5590	0.000	2	110.3519	6.657	2501	110.3519	6.657	2501